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188355-96-6 | [1,1'-Biphenyl]-3-carboxylic acid, 5-nitro-
CAS No: 188355-96-6 Catalog No: AG002GU5 MDL No:MFCD14702153
Product Description
Catalog Number:
AG002GU5
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-nitro-
CAS Number:
188355-96-6
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD14702153
IUPAC Name:
3-nitro-5-phenylbenzoic acid
InChI:
InChI=1S/C13H9NO4/c15-13(16)11-6-10(7-12(8-11)14(17)18)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChI Key:
BIVASMLLEKRCTH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccccc1
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:
2.9
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