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88045-90-3 | 2(1H)-Pyrimidinone, 5-chloro-1-[(1-phenylethoxy)methyl]-
CAS No: 88045-90-3 Catalog No: AG004MHI MDL No:
Product Description
Catalog Number:
AG004MHI
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-1-[(1-phenylethoxy)methyl]-
CAS Number:
88045-90-3
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
5-chloro-1-(1-phenylethoxymethyl)pyrimidin-2-one
InChI:
InChI=1S/C13H13ClN2O2/c1-10(11-5-3-2-4-6-11)18-9-16-8-12(14)7-15-13(16)17/h2-8,10H,9H2,1H3
InChI Key:
TVHYNDKERNOYPD-UHFFFAOYSA-N
SMILES:
Clc1cnc(=O)n(c1)COC(c1ccccc1)C
Properties
Complexity:
362
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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