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5791-00-4,MFCD01744501
Catalog No.:AA00EG6W

5791-00-4 | 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$22.00   $16.00
- +
1g
98%
in stock  
$51.00   $36.00
- +
5g
98%
in stock  
$162.00   $114.00
- +
25g
98%
in stock  
$615.00   $430.00
- +
100g
98%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EG6W
Chemical Name:
6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
CAS Number:
5791-00-4
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
MDL Number:
MFCD01744501
SMILES:
O=C1Nc2cc(Cl)ccc2OC1C
Properties
Properties
 
Form:
Solid  
MP:
172.0 to 176.0℃  

Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route
5791-00-4    4584-46-7   
6-chloro-4-(2-dimethylamino-ethyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    869-24-9   
6-chloro-4-(2-diethylamino-ethyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    5407-04-5   
6-chloro-4-(3-dimethylamino-propyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    4535-85-7   
6-chloro-4-(3-diethylamino-propyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    7250-67-1   
6-chloro-2-methyl-4-(2-pyrrolidin-1-yl-ethyl)-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

Literature
Quotation Request
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SDS
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Tags:5791-00-4 Molecular Formula|5791-00-4 MDL|5791-00-4 SMILES|5791-00-4 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
Catalog No.: AA00EG6W
5791-00-4,MFCD01744501
5791-00-4 | 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
Pack Size： 250mg
Purity： 98%
in stock
$22.00 $16.00
Pack Size： 1g
Purity： 98%
in stock
$51.00 $36.00
Pack Size： 5g
Purity： 98%
in stock
$162.00 $114.00
Pack Size： 25g
Purity： 98%
in stock
$615.00 $430.00
Pack Size： 100g
Purity： 98%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EG6W
Chemical Name: 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
CAS Number: 5791-00-4
Molecular Formula: C9H8ClNO2
Molecular Weight: 197.6183
MDL Number: MFCD01744501
SMILES: O=C1Nc2cc(Cl)ccc2OC1C
Properties
Form: Solid  
MP: 172.0 to 176.0℃  
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
5791-00-4    4584-46-7   
6-chloro-4-(2-dimethylamino-ethyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    869-24-9   
6-chloro-4-(2-diethylamino-ethyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    5407-04-5   
6-chloro-4-(3-dimethylamino-propyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    4535-85-7   
6-chloro-4-(3-diethylamino-propyl)-2-methyl-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

5791-00-4    7250-67-1   
6-chloro-2-methyl-4-(2-pyrrolidin-1-yl-ethyl)-4<i>H</i>-benzo1,4oxazin-3-one 

[1]EuropeanJournalofMedicinalChemistry,1975,vol.10,p.37-42

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