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101080-24-4 | 2(1H)-Pyrimidinone, 6-chloro-5-methyl-
CAS No: 101080-24-4 Catalog No: AG0003OO MDL No:MFCD23701549
Product Description
Catalog Number:
AG0003OO
Chemical Name:
2(1H)-Pyrimidinone, 6-chloro-5-methyl-
CAS Number:
101080-24-4
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD23701549
IUPAC Name:
6-chloro-5-methyl-1H-pyrimidin-2-one
InChI:
InChI=1S/C5H5ClN2O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H,7,8,9)
InChI Key:
VONSXWIKHHTSCS-UHFFFAOYSA-N
SMILES:
Cc1cnc(=O)[nH]c1Cl
Properties
Complexity:
207
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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