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83768-08-5 | 2(1H)-Pyrimidinone, 5-chloro-1-(1-phenoxyethyl)-
CAS No: 83768-08-5 Catalog No: AG0055QK MDL No:
Product Description
Catalog Number:
AG0055QK
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-1-(1-phenoxyethyl)-
CAS Number:
83768-08-5
Molecular Formula:
C12H11ClN2O2
Molecular Weight:
250.6809
IUPAC Name:
5-chloro-1-(1-phenoxyethyl)pyrimidin-2-one
InChI:
InChI=1S/C12H11ClN2O2/c1-9(17-11-5-3-2-4-6-11)15-8-10(13)7-14-12(15)16/h2-9H,1H3
InChI Key:
ZMZBWKYRBSHBAN-UHFFFAOYSA-N
SMILES:
Clc1cnc(=O)n(c1)C(Oc1ccccc1)C
Properties
Complexity:
348
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:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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