Home Halogens 1-(3-chlorophenyl)-2,2,2-trifluoroethanol

1-(3-chlorophenyl)-2,2,2-trifluoroethanol

CAS No.:
81577-11-9
Catalog Number:
AG00GJKO
Molecular Formula:
C8H6ClF3O
Molecular Weight:
210.5808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00GJKO
Chemical Name:
1-(3-chlorophenyl)-2,2,2-trifluoroethanol
CAS Number:
81577-11-9
Molecular Formula:
C8H6ClF3O
Molecular Weight:
210.5808
MDL Number:
MFCD00461901
IUPAC Name:
1-(3-chlorophenyl)-2,2,2-trifluoroethanol
InChI:
InChI=1S/C8H6ClF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChI Key:
IFUMGCOCVZUIRR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(C(F)(F)F)O
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.006g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.58g/mol
Monoisotopic Mass:
210.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties