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101079-62-3 | 4(3H)-Pyrimidinone, 6-chloro-3-methyl-
CAS No: 101079-62-3 Catalog No: AG0003NY MDL No:MFCD00955650
Product Description
Catalog Number:
AG0003NY
Chemical Name:
4(3H)-Pyrimidinone, 6-chloro-3-methyl-
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
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
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