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Home > Nitro Compounds > 120275-62-9
120275-62-9 | Benzamide, 2-nitro-N-(3-pyridinylmethyl)-
CAS No: 120275-62-9 Catalog No: AG00HFBT MDL No:MFCD00813633
Product Description
Catalog Number:
AG00HFBT
Chemical Name:
Benzamide, 2-nitro-N-(3-pyridinylmethyl)-
CAS Number:
120275-62-9
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD00813633
IUPAC Name:
2-nitro-N-(pyridin-3-ylmethyl)benzamide
InChI:
InChI=1S/C13H11N3O3/c17-13(15-9-10-4-3-7-14-8-10)11-5-1-2-6-12(11)16(18)19/h1-8H,9H2,(H,15,17)
InChI Key:
JAFATDRGTMWFAM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])NCc1cccnc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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