Home Halogens 3-Chloro-5-hydroxybenzotrifluoride

3-Chloro-5-hydroxybenzotrifluoride

CAS No.:
570391-18-3
Catalog Number:
AG003J9I
Molecular Formula:
C7H4ClF3O
Molecular Weight:
196.5543
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$313
- +
25g
95%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG003J9I
Chemical Name:
3-Chloro-5-hydroxybenzotrifluoride
CAS Number:
570391-18-3
Molecular Formula:
C7H4ClF3O
Molecular Weight:
196.5543
MDL Number:
MFCD04115852
IUPAC Name:
3-chloro-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4ClF3O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
InChI Key:
BPJWMOPEHPOKFT-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)cc(c1)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