Home Nitriles 4-Hydroxy-2-(trifluoromethyl)benzonitrile

4-Hydroxy-2-(trifluoromethyl)benzonitrile

CAS No.:
320-42-3
Catalog Number:
AG003LHE
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG003LHE
Chemical Name:
4-Hydroxy-2-(trifluoromethyl)benzonitrile
CAS Number:
320-42-3
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD06797340
IUPAC Name:
4-hydroxy-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3,13H
InChI Key:
MDBVIOUGHSKRMT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties