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Home > Fluorides > 116640-11-0
116640-11-0 | Phenol, 3,5-difluoro-4-(trifluoromethyl)-
CAS No: 116640-11-0 Catalog No: AG000CWT MDL No:MFCD19441183
Product Description
Catalog Number:
AG000CWT
Chemical Name:
Phenol, 3,5-difluoro-4-(trifluoromethyl)-
CAS Number:
116640-11-0
Molecular Formula:
C7H3F5O
Molecular Weight:
198.0901
MDL Number:
MFCD19441183
IUPAC Name:
3,5-difluoro-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H3F5O/c8-4-1-3(13)2-5(9)6(4)7(10,11)12/h1-2,13H
InChI Key:
NAOKJLSRDFRVLJ-UHFFFAOYSA-N
SMILES:
FC(c1c(F)cc(cc1F)O)(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.092g/mol
Monoisotopic Mass:
198.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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