Home Halogens Phenol, 2-chloro-3-(trifluoromethyl)-

Phenol, 2-chloro-3-(trifluoromethyl)-

CAS No.:
138377-34-1
Catalog Number:
AG0018OL
Molecular Formula:
C7H4ClF3O
Molecular Weight:
196.5543
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Product Description
Catalog Number:
AG0018OL
Chemical Name:
Phenol, 2-chloro-3-(trifluoromethyl)-
CAS Number:
138377-34-1
Molecular Formula:
C7H4ClF3O
Molecular Weight:
196.5543
MDL Number:
MFCD00213793
IUPAC Name:
2-chloro-3-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4ClF3O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
InChI Key:
BGXZMBZFGAIBDH-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1Cl)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:
3.1  
Properties