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1237747-77-1 | [1,1'-Biphenyl]-3-ol, 4'-(trifluoromethoxy)-
CAS No: 1237747-77-1 Catalog No: AG000L25 MDL No:MFCD18312996
Product Description
Catalog Number:
AG000L25
Chemical Name:
[1,1'-Biphenyl]-3-ol, 4'-(trifluoromethoxy)-
CAS Number:
1237747-77-1
Molecular Formula:
C13H9F3O2
Molecular Weight:
254.2046
MDL Number:
MFCD18312996
IUPAC Name:
3-[4-(trifluoromethoxy)phenyl]phenol
InChI:
InChI=1S/C13H9F3O2/c14-13(15,16)18-12-6-4-9(5-7-12)10-2-1-3-11(17)8-10/h1-8,17H
InChI Key:
JRRQYCVOENWMLA-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.208g/mol
Monoisotopic Mass:
254.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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