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124391-60-2 | [1,1'-Biphenyl]-2-carboxylic acid, 5-nitro-
CAS No: 124391-60-2 Catalog No: AG000LXS MDL No:MFCD12913660
Product Description
Catalog Number:
AG000LXS
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 5-nitro-
CAS Number:
124391-60-2
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD12913660
IUPAC Name:
4-nitro-2-phenylbenzoic acid
InChI:
InChI=1S/C13H9NO4/c15-13(16)11-7-6-10(14(17)18)8-12(11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChI Key:
ZEBINUQQXMHHJE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
319
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:
2.7
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