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884323-18-6 | [1,1'-Biphenyl]-4-carboxylic acid, 3',5'-dimethyl-3-(phenylamino)-
CAS No: 884323-18-6 Catalog No: AG004HMM MDL No:
Product Description
Catalog Number:
AG004HMM
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3',5'-dimethyl-3-(phenylamino)-
CAS Number:
884323-18-6
Molecular Formula:
C21H19NO2
Molecular Weight:
317.3811
IUPAC Name:
2-anilino-4-(3,5-dimethylphenyl)benzoic acid
InChI:
InChI=1S/C21H19NO2/c1-14-10-15(2)12-17(11-14)16-8-9-19(21(23)24)20(13-16)22-18-6-4-3-5-7-18/h3-13,22H,1-2H3,(H,23,24)
InChI Key:
KBAWHCUNJDJZDM-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)c1ccc(c(c1)Nc1ccccc1)C(=O)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.388g/mol
Monoisotopic Mass:
317.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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