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1000587-29-0 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-5-nitro-
CAS No: 1000587-29-0 Catalog No: AG0000RG MDL No:MFCD18318971
Product Description
Catalog Number:
AG0000RG
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-5-nitro-
CAS Number:
1000587-29-0
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD18318971
IUPAC Name:
3-(4-methylphenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H11NO4/c1-9-2-4-10(5-3-9)11-6-12(14(16)17)8-13(7-11)15(18)19/h2-8H,1H3,(H,16,17)
InChI Key:
FXYMLBWUVKFDCI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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