Home Halogens 4-(bromomethyl)-3-(trifluoromethyl)benzonitrile

4-(bromomethyl)-3-(trifluoromethyl)benzonitrile

CAS No.:
853368-32-8
Catalog Number:
AG00G962
Molecular Formula:
C9H5BrF3N
Molecular Weight:
264.0419
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Product Description
Catalog Number:
AG00G962
Chemical Name:
4-(bromomethyl)-3-(trifluoromethyl)benzonitrile
CAS Number:
853368-32-8
Molecular Formula:
C9H5BrF3N
Molecular Weight:
264.0419
MDL Number:
MFCD22492235
IUPAC Name:
4-(bromomethyl)-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H5BrF3N/c10-4-7-2-1-6(5-14)3-8(7)9(11,12)13/h1-3H,4H2
InChI Key:
UTIBFWZBRANTIA-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(F)(F)F)C#N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.956g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.045g/mol
Monoisotopic Mass:
262.956g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties