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88045-79-8 | 2(1H)-Pyrimidinone, 5-chloro-1-[[(2-methylphenyl)methoxy]methyl]-
CAS No: 88045-79-8 Catalog No: AG004MHL MDL No:
Product Description
Catalog Number:
AG004MHL
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-1-[[(2-methylphenyl)methoxy]methyl]-
CAS Number:
88045-79-8
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
5-chloro-1-[(2-methylphenyl)methoxymethyl]pyrimidin-2-one
InChI:
InChI=1S/C13H13ClN2O2/c1-10-4-2-3-5-11(10)8-18-9-16-7-12(14)6-15-13(16)17/h2-7H,8-9H2,1H3
InChI Key:
VNAQHLOHBWPXDB-UHFFFAOYSA-N
SMILES:
Clc1cnc(=O)n(c1)COCc1ccccc1C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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