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Home > Fluorides > 1261889-86-4
1261889-86-4 | [1,1'-Biphenyl]-3-ol, 4'-fluoro-3'-(trifluoromethyl)-
CAS No: 1261889-86-4 Catalog No: AG000S30 MDL No:MFCD18313002
Product Description
Catalog Number:
AG000S30
Chemical Name:
[1,1'-Biphenyl]-3-ol, 4'-fluoro-3'-(trifluoromethyl)-
CAS Number:
1261889-86-4
Molecular Formula:
C13H8F4O
Molecular Weight:
256.1956
MDL Number:
MFCD18313002
IUPAC Name:
3-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
InChI:
InChI=1S/C13H8F4O/c14-12-5-4-9(7-11(12)13(15,16)17)8-2-1-3-10(18)6-8/h1-7,18H
InChI Key:
BVDYXDCKIVGIKA-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.2g/mol
Monoisotopic Mass:
256.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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