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Home > Fluorides > 130047-19-7
130047-19-7 | Phenol, 4-fluoro-2-(trifluoromethyl)-
CAS No: 130047-19-7 Catalog No: AG000TXI MDL No:MFCD00061290
Product Description
Catalog Number:
AG000TXI
Chemical Name:
Phenol, 4-fluoro-2-(trifluoromethyl)-
CAS Number:
130047-19-7
Molecular Formula:
C7H4F4O
Molecular Weight:
180.0997
MDL Number:
MFCD00061290
IUPAC Name:
4-fluoro-2-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChI Key:
RNOVGJWJVRESAA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(F)(F)F)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.102g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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