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Home > Nitro Compounds > 785713-63-5
785713-63-5 | 1-[(4-Nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS No: 785713-63-5 Catalog No: AG01EXEE MDL No:
Product Description
Catalog Number:
AG01EXEE
Chemical Name:
1-[(4-Nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS Number:
785713-63-5
Molecular Formula:
C13H12N3O3+
Molecular Weight:
258.2527
IUPAC Name:
N-(4-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
InChI:
InChI=1S/C13H11N3O3/c17-13(10-15-8-2-1-3-9-15)14-11-4-6-12(7-5-11)16(18)19/h1-9H,10H2/p+1
InChI Key:
LPQWZLVYGAZMFN-UHFFFAOYSA-O
SMILES:
O=C(C[n+]1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.088g/mol
Formal Charge:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.257g/mol
Monoisotopic Mass:
258.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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