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Home > Fluorides > 116640-12-1
116640-12-1 | Phenol, 2,3-difluoro-4-(trifluoromethyl)-
CAS No: 116640-12-1 Catalog No: AG000CWS MDL No:
Product Description
Catalog Number:
AG000CWS
Chemical Name:
Phenol, 2,3-difluoro-4-(trifluoromethyl)-
CAS Number:
116640-12-1
Molecular Formula:
C7H3F5O
Molecular Weight:
198.0901
IUPAC Name:
2,3-difluoro-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H3F5O/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2,13H
InChI Key:
WWJVQVQWMHTPNE-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1F)F)C(F)(F)F
Properties
Complexity:
180
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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