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101079-62-3,MFCD00955650
Catalog No.:AA0003L6
101079-62-3 | 6-Chloro-3-methylpyrimidin-4(3h)-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$86.00   $60.00
- +
1g
98%
in stock  
$215.00   $150.00
- +
5g
98%
in stock  
$873.00   $611.00
- +
10g
98%
in stock  
$1,508.00   $1,055.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003L6
Chemical Name:
6-Chloro-3-methylpyrimidin-4(3h)-one
CAS Number:
101079-62-3
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD00955650
IUPAC Name:
6-chloro-3-methylpyrimidin-4-one
InChI:
InChI=1S/C5H5ClN2O/c1-8-3-7-4(6)2-5(8)9/h2-3H,1H3
InChI Key:
IRYLYRQCDCQZHE-UHFFFAOYSA-N
SMILES:
Clc1ncn(c(=O)c1)C
Properties
Computed Properties
 
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Synonyms
 
6-Chloro-3-methylpyrimidin-4(3H)-one 
101079-62-3 
ZINC5425238 
ANW-49963 
MFCD00955650 
AKOS015920131 
DS-1224 
MB01596 
AJ-54044 
AK-50607 
BR-50607 
4(3H)-Pyrimidinone, 6-chloro-3-methyl- 
6-chloro-3-methylpyrimidin-4-one 
AB0034395 
TC-138708 
4CH-009996 
ST24029732 
X8544 
S-6894 
F2199-0498 
C5H5ClN2O 
6-chloro-3-methyl-pyrimidin-4-one 
CID4366471 
6-CHLORO-3-METHYL-3,4-DIHYDROPYRIMIDIN-4-ONE 
AC1N9U0K 
SCHEMBL15262534 
CTK8B5758 
DTXSID40402428 
IRYLYRQCDCQZHE-UHFFFAOYSA-N 
KS-00000OB7 
Literature
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