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1261896-07-4 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-fluoro-3'-(trifluoromethyl)-
CAS No: 1261896-07-4 Catalog No: AG000S3R MDL No:MFCD18312719
Product Description
Catalog Number:
AG000S3R
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-fluoro-3'-(trifluoromethyl)-
CAS Number:
1261896-07-4
Molecular Formula:
C14H8F4O2
Molecular Weight:
284.2057
MDL Number:
MFCD18312719
IUPAC Name:
4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
InChI:
InChI=1S/C14H8F4O2/c15-12-10(2-1-3-11(12)14(16,17)18)8-4-6-9(7-5-8)13(19)20/h1-7H,(H,19,20)
InChI Key:
HLIZWXQYNCUVNP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccc(c1F)C(F)(F)F
Properties
Complexity:
348
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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