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Home Other Building Blocks 2-Chloro-5-(trifluoromethyl)phenol

2-Chloro-5-(trifluoromethyl)phenol

CAS No.:
40889-91-6
Catalog Number:
AG003GY9
Molecular Formula:
C7H4ClF3O
Molecular Weight:
196.5543
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$108
- +
5g
98%
In Stock USA
United States
$121
- +
Product Description
Catalog Number:
AG003GY9
Chemical Name:
2-Chloro-5-(trifluoromethyl)phenol
CAS Number:
40889-91-6
Molecular Formula:
C7H4ClF3O
Molecular Weight:
196.5543
MDL Number:
MFCD00019995
IUPAC Name:
2-chloro-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
InChI Key:
SUIZARUATMVYRT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1O)C(F)(F)F
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.99g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.553g/mol
Monoisotopic Mass:
195.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Paint solvent to food additive: an environmental route of dehalogenation for 4-chlorobenzotrifluoride. Environmental toxicology and chemistry 20081101
Properties