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Home > Nitro Compounds > 104202-21-3
104202-21-3 | 2-nitro-N-(pyridin-2-ylmethyl)benzamide
CAS No: 104202-21-3 Catalog No: AG00JH43 MDL No:MFCD00978188
Product Description
Catalog Number:
AG00JH43
Chemical Name:
2-nitro-N-(pyridin-2-ylmethyl)benzamide
CAS Number:
104202-21-3
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD00978188
IUPAC Name:
2-nitro-N-(pyridin-2-ylmethyl)benzamide
InChI:
InChI=1S/C13H11N3O3/c17-13(15-9-10-5-3-4-8-14-10)11-6-1-2-7-12(11)16(18)19/h1-8H,9H2,(H,15,17)
InChI Key:
RABNSWVIYXUULG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(=O)NCc1ccccn1
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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