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149505-87-3 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-nitro-
CAS No: 149505-87-3 Catalog No: AG001LRC MDL No:MFCD06803016
Product Description
Catalog Number:
AG001LRC
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-nitro-
CAS Number:
149505-87-3
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD06803016
IUPAC Name:
3-(3-nitrophenyl)benzoic acid
InChI:
InChI=1S/C13H9NO4/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18/h1-8H,(H,15,16)
InChI Key:
KJHPQSSQEOOQMU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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