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Home > Nitro Compounds > 189169-96-8
189169-96-8 | 3-Pyridinecarboxamide, N-[(2-nitrophenyl)methyl]-
CAS No: 189169-96-8 Catalog No: AG002HZ9 MDL No:
Product Description
Catalog Number:
AG002HZ9
Chemical Name:
3-Pyridinecarboxamide, N-[(2-nitrophenyl)methyl]-
CAS Number:
189169-96-8
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
InChI:
InChI=1S/C13H11N3O3/c17-13(11-5-3-7-14-8-11)15-9-10-4-1-2-6-12(10)16(18)19/h1-8H,9H2,(H,15,17)
InChI Key:
KNIZZYCAQOGVEO-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)NCc1ccccc1[N+](=O)[O-]
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
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