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1261950-34-8 | [1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-5-(trifluoromethyl)-
CAS No: 1261950-34-8 Catalog No: AG000S91 MDL No:MFCD18320000
Product Description
Catalog Number:
AG000S91
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-5-(trifluoromethyl)-
CAS Number:
1261950-34-8
Molecular Formula:
C14H7F5O2
Molecular Weight:
302.1962
MDL Number:
MFCD18320000
IUPAC Name:
3-(3,5-difluorophenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C14H7F5O2/c15-11-4-8(5-12(16)6-11)7-1-9(13(20)21)3-10(2-7)14(17,18)19/h1-6H,(H,20,21)
InChI Key:
CDMSKBIJHRCOGS-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.037g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.2g/mol
Monoisotopic Mass:
302.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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