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88045-77-6 | 2(1H)-Pyrimidinone, 5-chloro-1-[(phenylmethoxy)methyl]-
CAS No: 88045-77-6 Catalog No: AG004G3X MDL No:
Product Description
Catalog Number:
AG004G3X
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-1-[(phenylmethoxy)methyl]-
CAS Number:
88045-77-6
Molecular Formula:
C12H11ClN2O2
Molecular Weight:
250.6809
IUPAC Name:
5-chloro-1-(phenylmethoxymethyl)pyrimidin-2-one
InChI:
InChI=1S/C12H11ClN2O2/c13-11-6-14-12(16)15(7-11)9-17-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChI Key:
BKTMESLAEXVFDD-UHFFFAOYSA-N
SMILES:
Clc1cnc(=O)n(c1)COCc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.682g/mol
Monoisotopic Mass:
250.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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