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Home > Nitro Compounds > 87693-28-5
87693-28-5 | 2-nitro-N-(1H-1,2,3,4-tetrazol-5-yl)benzamide
CAS No: 87693-28-5 Catalog No: AG00IZYE MDL No:MFCD00129245
Product Description
Catalog Number:
AG00IZYE
Chemical Name:
2-nitro-N-(1H-1,2,3,4-tetrazol-5-yl)benzamide
CAS Number:
87693-28-5
Molecular Formula:
C8H6N6O3
Molecular Weight:
234.1716
MDL Number:
MFCD00129245
IUPAC Name:
2-nitro-N-(2H-tetrazol-5-yl)benzamide
InChI:
InChI=1S/C8H6N6O3/c15-7(9-8-10-12-13-11-8)5-3-1-2-4-6(5)14(16)17/h1-4H,(H2,9,10,11,12,13,15)
InChI Key:
HIKKGCYAILVAHC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])Nc1nnn[nH]1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.175g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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