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Home > Nitro Compounds > 200726-22-3
200726-22-3 | Benzamide, 3-nitro-N-3-quinolinyl-
CAS No: 200726-22-3 Catalog No: AG00I3QT MDL No:MFCD00823508
Product Description
Catalog Number:
AG00I3QT
Chemical Name:
Benzamide, 3-nitro-N-3-quinolinyl-
CAS Number:
200726-22-3
Molecular Formula:
C16H11N3O3
Molecular Weight:
293.2768
MDL Number:
MFCD00823508
IUPAC Name:
3-nitro-N-quinolin-3-ylbenzamide
InChI:
InChI=1S/C16H11N3O3/c20-16(12-5-3-6-14(9-12)19(21)22)18-13-8-11-4-1-2-7-15(11)17-10-13/h1-10H,(H,18,20)
InChI Key:
BLFLQLYPRCSHIF-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1cnc2c(c1)cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.282g/mol
Monoisotopic Mass:
293.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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