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88045-78-7 | 2(1H)-Pyrimidinone, 5-chloro-1-[[(4-chlorophenyl)methoxy]methyl]-
CAS No: 88045-78-7 Catalog No: AG004G3W MDL No:
Product Description
Catalog Number:
AG004G3W
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-1-[[(4-chlorophenyl)methoxy]methyl]-
CAS Number:
88045-78-7
Molecular Formula:
C12H10Cl2N2O2
Molecular Weight:
285.1260
IUPAC Name:
5-chloro-1-[(4-chlorophenyl)methoxymethyl]pyrimidin-2-one
InChI:
InChI=1S/C12H10Cl2N2O2/c13-10-3-1-9(2-4-10)7-18-8-16-6-11(14)5-15-12(16)17/h1-6H,7-8H2
InChI Key:
WGUVQCGTPIEOBT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COCn1cc(Cl)cnc1=O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.124g/mol
Monoisotopic Mass:
284.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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