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36918-78-2 | N-(2-IMIDAZOLYL)-4-NITROBENZAMIDE
CAS No: 36918-78-2 Catalog No: AG0077MT MDL No:
Product Description
Catalog Number:
AG0077MT
Chemical Name:
N-(2-IMIDAZOLYL)-4-NITROBENZAMIDE
CAS Number:
36918-78-2
Molecular Formula:
C10H8N4O3
Molecular Weight:
232.1955
IUPAC Name:
N-(1H-imidazol-2-yl)-4-nitrobenzamide
InChI:
InChI=1S/C10H8N4O3/c15-9(13-10-11-5-6-12-10)7-1-3-8(4-2-7)14(16)17/h1-6H,(H2,11,12,13,15)
InChI Key:
KFDZTHIWFNKNAO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ncc[nH]1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.199g/mol
Monoisotopic Mass:
232.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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