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Home > Nitro Compounds > 3393-96-2
3393-96-2 | 4'-Nitrobenzanilide
CAS No: 3393-96-2 Catalog No: AG003LV1 MDL No:MFCD00024619
Product Description
Catalog Number:
AG003LV1
Chemical Name:
4'-Nitrobenzanilide
CAS Number:
3393-96-2
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD00024619
IUPAC Name:
N-(4-nitrophenyl)benzamide
InChI:
InChI=1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16)
InChI Key:
GMGQGZYFQSCZCW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
EC Number:
222-241-2
NSC Number:
82120
Properties
Complexity:
300
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:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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