200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 137218-25-8
137218-25-8 | Benzeneacetonitrile, 2-(trifluoromethoxy)-
CAS No: 137218-25-8 Catalog No: AG0012YE MDL No:MFCD00236326
Product Description
Catalog Number:
AG0012YE
Chemical Name:
Benzeneacetonitrile, 2-(trifluoromethoxy)-
CAS Number:
137218-25-8
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00236326
IUPAC Name:
2-[2-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChI Key:
OIKWCWVMUBCXJM-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1OC(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.