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Home > Imidazoles > 893769-73-8
893769-73-8 | N-cyclopropyl-4-(1H-imidazol-1-yl)-3-nitrobenzamide
CAS No: 893769-73-8 Catalog No: AG00JH3J MDL No:MFCD07800550
Product Description
Catalog Number:
AG00JH3J
Chemical Name:
N-cyclopropyl-4-(1H-imidazol-1-yl)-3-nitrobenzamide
CAS Number:
893769-73-8
Molecular Formula:
C13H12N4O3
Molecular Weight:
272.2594
MDL Number:
MFCD07800550
IUPAC Name:
N-cyclopropyl-4-imidazol-1-yl-3-nitrobenzamide
InChI:
InChI=1S/C13H12N4O3/c18-13(15-10-2-3-10)9-1-4-11(12(7-9)17(19)20)16-6-5-14-8-16/h1,4-8,10H,2-3H2,(H,15,18)
InChI Key:
QQZIACIJEQLYAO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1cncc1)C(=O)NC1CC1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.264g/mol
Monoisotopic Mass:
272.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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