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Home > Pyridines > 651769-39-0
651769-39-0 | Benzamide, N-(3-pyridinylmethyl)-4-(1H-tetrazol-5-yl)-
CAS No: 651769-39-0 Catalog No: AG00H7OU MDL No:
Product Description
Catalog Number:
AG00H7OU
Chemical Name:
Benzamide, N-(3-pyridinylmethyl)-4-(1H-tetrazol-5-yl)-
CAS Number:
651769-39-0
Molecular Formula:
C14H12N6O
Molecular Weight:
280.2847
IUPAC Name:
N-(pyridin-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
InChI:
InChI=1S/C14H12N6O/c21-14(16-9-10-2-1-7-15-8-10)12-5-3-11(4-6-12)13-17-19-20-18-13/h1-8H,9H2,(H,16,21)(H,17,18,19,20)
InChI Key:
MFMFXHODISGTAU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1nnn[nH]1)NCc1cccnc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.291g/mol
Monoisotopic Mass:
280.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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