Home Nitriles 4-Hydroxy-3-(trifluoromethoxy)benzonitrile

4-Hydroxy-3-(trifluoromethoxy)benzonitrile

CAS No.:
1093397-72-8
Catalog Number:
AG00HBFM
Molecular Formula:
C8H4F3NO2
Molecular Weight:
203.1181
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$41
- +
250mg
97%
1 week
United States
$60
- +
1g
97%
1 week
United States
$149
- +
Product Description
Catalog Number:
AG00HBFM
Chemical Name:
4-Hydroxy-3-(trifluoromethoxy)benzonitrile
CAS Number:
1093397-72-8
Molecular Formula:
C8H4F3NO2
Molecular Weight:
203.1181
MDL Number:
MFCD18397473
IUPAC Name:
4-hydroxy-3-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-5(4-12)1-2-6(7)13/h1-3,13H
InChI Key:
RBWKUPCGMZTOSC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)OC(F)(F)F)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.12g/mol
Monoisotopic Mass:
203.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties