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87847-93-6 | 5-Pyrimidinecarboxamide, 2,4,6-trichloro-N-phenyl-
CAS No: 87847-93-6 Catalog No: AG004JFP MDL No:
Product Description
Catalog Number:
AG004JFP
Chemical Name:
5-Pyrimidinecarboxamide, 2,4,6-trichloro-N-phenyl-
CAS Number:
87847-93-6
Molecular Formula:
C11H6Cl3N3O
Molecular Weight:
302.5438
IUPAC Name:
2,4,6-trichloro-N-phenylpyrimidine-5-carboxamide
InChI:
InChI=1S/C11H6Cl3N3O/c12-8-7(9(13)17-11(14)16-8)10(18)15-6-4-2-1-3-5-6/h1-5H,(H,15,18)
InChI Key:
JGNBQPJSHDZPOC-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c(c(n1)Cl)C(=O)Nc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.539g/mol
Monoisotopic Mass:
300.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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