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1261949-20-5 | 2-(3-Nitrophenyl)-isonicotinic acid
CAS No: 1261949-20-5 Catalog No: AG00HNIK MDL No:
Product Description
Catalog Number:
AG00HNIK
Chemical Name:
2-(3-Nitrophenyl)-isonicotinic acid
CAS Number:
1261949-20-5
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
IUPAC Name:
2-(3-nitrophenyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H8N2O4/c15-12(16)9-4-5-13-11(7-9)8-2-1-3-10(6-8)14(17)18/h1-7H,(H,15,16)
InChI Key:
UIGOWIPIPLEXPC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.206g/mol
Monoisotopic Mass:
244.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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