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1261975-94-3 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 5-(trifluoromethyl)-
CAS No: 1261975-94-3 Catalog No: AG000S9S MDL No:MFCD18320294
Product Description
Catalog Number:
AG000S9S
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 5-(trifluoromethyl)-
CAS Number:
1261975-94-3
Molecular Formula:
C15H9F3O4
Molecular Weight:
310.2248
MDL Number:
MFCD18320294
IUPAC Name:
3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H9F3O4/c16-15(17,18)12-6-10(5-11(7-12)14(21)22)8-1-3-9(4-2-8)13(19)20/h1-7H,(H,19,20)(H,21,22)
InChI Key:
ZSACUTOXWGVAFC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.045g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.228g/mol
Monoisotopic Mass:
310.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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