Home Halogens 5-Chloro-3-cyanobenzotrifluoride

5-Chloro-3-cyanobenzotrifluoride

CAS No.:
693245-52-2
Catalog Number:
AG003J8X
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$75
- +
10g
98%
In Stock USA
United States
$138
- +
25g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003J8X
Chemical Name:
5-Chloro-3-cyanobenzotrifluoride
CAS Number:
693245-52-2
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
MDL Number:
MFCD04115854
IUPAC Name:
3-chloro-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3ClF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
InChI Key:
RLHYYDKFOQSWIB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)cc(c1)C(F)(F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.991g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.564g/mol
Monoisotopic Mass:
204.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties