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Home > Pyridines > 651769-87-8
651769-87-8 | Benzamide, 2-cyano-N-4-pyridinyl-4-(1H-tetrazol-5-yl)-
CAS No: 651769-87-8 Catalog No: AG00H7OO MDL No:
Product Description
Catalog Number:
AG00H7OO
Chemical Name:
Benzamide, 2-cyano-N-4-pyridinyl-4-(1H-tetrazol-5-yl)-
CAS Number:
651769-87-8
Molecular Formula:
C14H9N7O
Molecular Weight:
291.2676
IUPAC Name:
2-cyano-N-pyridin-4-yl-4-(2H-tetrazol-5-yl)benzamide
InChI:
InChI=1S/C14H9N7O/c15-8-10-7-9(13-18-20-21-19-13)1-2-12(10)14(22)17-11-3-5-16-6-4-11/h1-7H,(H,16,17,22)(H,18,19,20,21)
InChI Key:
GTECTBQDFABHLJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C(=O)Nc1ccncc1)c1nnn[nH]1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.274g/mol
Monoisotopic Mass:
291.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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