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121555-66-6 | Phenol, 2-chloro-3,5,6-trifluoro-
CAS No: 121555-66-6 Catalog No: AG00159S MDL No:
Product Description
Catalog Number:
AG00159S
Chemical Name:
Phenol, 2-chloro-3,5,6-trifluoro-
CAS Number:
121555-66-6
Molecular Formula:
C6H2ClF3O
Molecular Weight:
182.5277
IUPAC Name:
2-chloro-3,5,6-trifluorophenol
InChI:
InChI=1S/C6H2ClF3O/c7-4-2(8)1-3(9)5(10)6(4)11/h1,11H
InChI Key:
BFXFEVCTOKPZSD-UHFFFAOYSA-N
SMILES:
Fc1c(F)cc(c(c1O)Cl)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.526g/mol
Monoisotopic Mass:
181.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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