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728-90-5 | 2'-NITROBENZANILIDE
CAS No: 728-90-5 Catalog No: AG00FBAA MDL No:MFCD00024200
Product Description
Catalog Number:
AG00FBAA
Chemical Name:
2'-NITROBENZANILIDE
CAS Number:
728-90-5
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD00024200
IUPAC Name:
N-(2-nitrophenyl)benzamide
InChI:
InChI=1S/C13H10N2O3/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
InChI Key:
ARMSTQBMUHJXHU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccccc1[N+](=O)[O-]
EC Number:
211-978-5
NSC Number:
406275
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| N-(2-Nitro-phen-yl)benzamide. | Acta crystallographica. Section E, Structure reports online 20090801 |
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