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158661-61-1 | 4(3H)-Pyrimidinone, 2-[(4-chlorophenyl)amino]-
CAS No: 158661-61-1 Catalog No: AG001QQX MDL No:
Product Description
Catalog Number:
AG001QQX
Chemical Name:
4(3H)-Pyrimidinone, 2-[(4-chlorophenyl)amino]-
CAS Number:
158661-61-1
Molecular Formula:
C10H8ClN3O
Molecular Weight:
221.6430
IUPAC Name:
2-(4-chloroanilino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H8ClN3O/c11-7-1-3-8(4-2-7)13-10-12-6-5-9(15)14-10/h1-6H,(H2,12,13,14,15)
InChI Key:
MEUBCTJJRTXLLI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1nccc(=O)[nH]1
NSC Number:
23672
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.644g/mol
Monoisotopic Mass:
221.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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