200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 868166-20-5
868166-20-5 | BENZONITRILE, 2-IODO-5-(TRIFLUOROMETHYL)-
CAS No: 868166-20-5 Catalog No: AG004J2N MDL No:MFCD18398159
Product Description
Catalog Number:
AG004J2N
Chemical Name:
BENZONITRILE, 2-IODO-5-(TRIFLUOROMETHYL)-
CAS Number:
868166-20-5
Molecular Formula:
C8H3F3IN
Molecular Weight:
297.0158
MDL Number:
MFCD18398159
IUPAC Name:
2-iodo-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3IN/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-3H
InChI Key:
KSPKCPNOVAIBEE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1I)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:
296.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.019g/mol
Monoisotopic Mass:
296.926g/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.