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1261593-39-8 | [1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-3'-(trifluoromethyl)-
CAS No: 1261593-39-8 Catalog No: AG000RVN MDL No:MFCD18321760
Product Description
Catalog Number:
AG000RVN
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-3'-(trifluoromethyl)-
CAS Number:
1261593-39-8
Molecular Formula:
C14H8F4O2
Molecular Weight:
284.2057
MDL Number:
MFCD18321760
IUPAC Name:
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
InChI:
InChI=1S/C14H8F4O2/c15-12-5-4-9(13(19)20)7-11(12)8-2-1-3-10(6-8)14(16,17)18/h1-7H,(H,19,20)
InChI Key:
XPQTUZLHWCZPGC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)c1cccc(c1)C(F)(F)F)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.21g/mol
Monoisotopic Mass:
284.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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