Home Halogens 2-Bromo-3-cyanobenzotrifluoride

2-Bromo-3-cyanobenzotrifluoride

CAS No.:
914637-07-3
Catalog Number:
AG00GUGO
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$157
- +
5g
98%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG00GUGO
Chemical Name:
2-Bromo-3-cyanobenzotrifluoride
CAS Number:
914637-07-3
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
MDL Number:
MFCD08532491
IUPAC Name:
2-bromo-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3BrF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChI Key:
XPCKPTRLDWJPRV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Br)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:
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