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Home > Nitro Compounds > 383146-07-4
383146-07-4 | 3-nitro-N-[4-(1H-pyrrol-1-yl)phenyl]benzamide
CAS No: 383146-07-4 Catalog No: AG00INJB MDL No:MFCD03011905
Product Description
Catalog Number:
AG00INJB
Chemical Name:
3-nitro-N-[4-(1H-pyrrol-1-yl)phenyl]benzamide
CAS Number:
383146-07-4
Molecular Formula:
C17H13N3O3
Molecular Weight:
307.3034
MDL Number:
MFCD03011905
IUPAC Name:
3-nitro-N-(4-pyrrol-1-ylphenyl)benzamide
InChI:
InChI=1S/C17H13N3O3/c21-17(13-4-3-5-16(12-13)20(22)23)18-14-6-8-15(9-7-14)19-10-1-2-11-19/h1-12H,(H,18,21)
InChI Key:
FAOYUZMJRNCSGM-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)n1cccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.309g/mol
Monoisotopic Mass:
307.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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