Home Nitriles 2,3,6-Trifluorobenzonitrile

2,3,6-Trifluorobenzonitrile

CAS No.:
136514-17-5
Catalog Number:
AG0011XI
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
In Stock USA
United States
$115
- +
5g
99%
In Stock USA
United States
$122
- +
Product Description
Catalog Number:
AG0011XI
Chemical Name:
2,3,6-Trifluorobenzonitrile
CAS Number:
136514-17-5
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
MDL Number:
MFCD00012287
IUPAC Name:
2,3,6-trifluorobenzonitrile
InChI:
InChI=1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H
InChI Key:
YWTXHALVWAISPR-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)ccc(c1F)F
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.095g/mol
Monoisotopic Mass:
157.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties