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1261837-34-6 | [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-(trifluoromethoxy)-
CAS No: 1261837-34-6 Catalog No: AG000S1S MDL No:MFCD18322407
Product Description
Catalog Number:
AG000S1S
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-(trifluoromethoxy)-
CAS Number:
1261837-34-6
Molecular Formula:
C14H8F4O3
Molecular Weight:
300.2051
MDL Number:
MFCD18322407
IUPAC Name:
2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C14H8F4O3/c15-12-7-9(4-5-11(12)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H,19,20)
InChI Key:
IEQHYJGUDCKCOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1F)c1cccc(c1)OC(F)(F)F
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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