Home Nitriles 4-Bromo-3-(trifluoromethyl)benzonitrile

4-Bromo-3-(trifluoromethyl)benzonitrile

CAS No.:
1735-53-1
Catalog Number:
AG001YYU
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$14
- +
5g
98%
In Stock USA
United States
$43
- +
25g
98%
In Stock USA
United States
$138
- +
100g
98%
In Stock USA
United States
$419
- +
Product Description
Catalog Number:
AG001YYU
Chemical Name:
4-Bromo-3-(trifluoromethyl)benzonitrile
CAS Number:
1735-53-1
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
MDL Number:
MFCD03095347
IUPAC Name:
4-bromo-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3BrF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H
InChI Key:
KSXUIQQDHHFSRN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.018g/mol
Monoisotopic Mass:
248.94g/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