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141106-24-3,MFCD03695449
Catalog No.:AA001FUQ
141106-24-3 | 1-Benzoxepin-5(2H)-one, 9-chloro-3,4-dihydro-
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Purity
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Price(USD)
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100mg
95.0%
3 weeks  
$238.00
- +
250mg
95.0%
3 weeks  
$328.00
- +
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Technical Information
Catalog Number:
AA001FUQ
Chemical Name:
1-Benzoxepin-5(2H)-one, 9-chloro-3,4-dihydro-
CAS Number:
141106-24-3
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD03695449
IUPAC Name:
9-chloro-3,4-dihydro-2H-1-benzoxepin-5-one
InChI:
InChI=1S/C10H9ClO2/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4H,2,5-6H2
InChI Key:
SZQUVULWIGCGSM-UHFFFAOYSA-N
SMILES:
O=C1CCCOc2c1cccc2Cl
Properties
Computed Properties
 
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
141106-24-3 
9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-one 
NE26577 
AJ-93461 
EN300-77360 
9-Chloro-3,4-dihydro-2H-benzo[b]oxepin-5-one 
1-Benzoxepin-5(2H)-one, 9-chloro-3,4-dihydro- 
Z1446874735 
CID10352667 
8-chloro-6-oxabicyclo[5.4.0]undeca-8,10,12-trien-2-one 
9-CHLORO-3,4-DIHYDRO-1-BENZOXEPIN-5(2H)-ONE 
9-Chloro-3,4-dihydrobenzo[b]oxepin-5(2H)-one 
CTK4C2473 
DTXSID50438531 
ZINC36926602 
AKOS005363304 
CC-2330 
MCULE-1160372746 
Literature
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