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651769-89-0 | Benzamide, 2-cyano-4-(1H-tetrazol-5-yl)-N-2-thiazolyl-
CAS No: 651769-89-0 Catalog No: AG00H7AL MDL No:
Product Description
Catalog Number:
AG00H7AL
Chemical Name:
Benzamide, 2-cyano-4-(1H-tetrazol-5-yl)-N-2-thiazolyl-
CAS Number:
651769-89-0
Molecular Formula:
C12H7N7OS
Molecular Weight:
297.2953
IUPAC Name:
2-cyano-4-(2H-tetrazol-5-yl)-N-(1,3-thiazol-2-yl)benzamide
InChI:
InChI=1S/C12H7N7OS/c13-6-8-5-7(10-16-18-19-17-10)1-2-9(8)11(20)15-12-14-3-4-21-12/h1-5H,(H,14,15,20)(H,16,17,18,19)
InChI Key:
SRLARCCPTBQCIS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C(=O)Nc1nccs1)c1nnn[nH]1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.296g/mol
Monoisotopic Mass:
297.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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