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893638-28-3 | [1,1'-Biphenyl]-3-carboxylicacid, 4-hydroxy-3',5'-bis(trifluoromethyl)-
CAS No: 893638-28-3 Catalog No: AG003YWM MDL No:
Product Description
Catalog Number:
AG003YWM
Chemical Name:
[1,1'-Biphenyl]-3-carboxylicacid, 4-hydroxy-3',5'-bis(trifluoromethyl)-
CAS Number:
893638-28-3
Molecular Formula:
C15H8F6O3
Molecular Weight:
350.2126
IUPAC Name:
5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzoic acid
InChI:
InChI=1S/C15H8F6O3/c16-14(17,18)9-3-8(4-10(6-9)15(19,20)21)7-1-2-12(22)11(5-7)13(23)24/h1-6,22H,(H,23,24)
InChI Key:
CAQBXYCSAHRHOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.216g/mol
Monoisotopic Mass:
350.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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