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1261831-44-0 | [1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-3'-(trifluoromethoxy)-
CAS No: 1261831-44-0 Catalog No: AG000S1W MDL No:MFCD18322405
Product Description
Catalog Number:
AG000S1W
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-3'-(trifluoromethoxy)-
CAS Number:
1261831-44-0
Molecular Formula:
C14H8F4O3
Molecular Weight:
300.2051
MDL Number:
MFCD18322405
IUPAC Name:
4-fluoro-3-[3-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C14H8F4O3/c15-12-5-4-9(13(19)20)7-11(12)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H,19,20)
InChI Key:
BRSDOXGZEIXWNW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1c1cccc(c1)OC(F)(F)F)C(=O)O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.209g/mol
Monoisotopic Mass:
300.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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