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89374-26-5 | 3-Pyridinecarboxamide, 2-chloro-N-[(phenylamino)thioxomethyl]-
CAS No: 89374-26-5 Catalog No: AG003XAM MDL No:
Product Description
Catalog Number:
AG003XAM
Chemical Name:
3-Pyridinecarboxamide, 2-chloro-N-[(phenylamino)thioxomethyl]-
CAS Number:
89374-26-5
Molecular Formula:
C13H10ClN3OS
Molecular Weight:
291.7560
IUPAC Name:
2-chloro-N-(phenylcarbamothioyl)pyridine-3-carboxamide
InChI:
InChI=1S/C13H10ClN3OS/c14-11-10(7-4-8-15-11)12(18)17-13(19)16-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
InChI Key:
QYSJEPSMLJRJKZ-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1cccnc1Cl)Nc1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.753g/mol
Monoisotopic Mass:
291.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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