200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1228898-24-5
1228898-24-5 | 3-Bromo-2-(trifluoromethyl)benzonitrile
CAS No: 1228898-24-5 Catalog No: AG01FC8M MDL No:MFCD16606444
Product Description
Catalog Number:
AG01FC8M
Chemical Name:
3-Bromo-2-(trifluoromethyl)benzonitrile
CAS Number:
1228898-24-5
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
MDL Number:
MFCD16606444
IUPAC Name:
3-bromo-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3BrF3N/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3H
InChI Key:
WQERJEKPDHRROX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C(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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.