Name: Name:Benzeneacetonitrile, 3-chloro-2-fluoro-5-(trifluoromethyl)-
Brand: Angene
SKU: AG002S1K
Rating: 90 (10 reviews)

Benzeneacetonitrile, 3-chloro-2-fluoro-5-(trifluoromethyl)-

CAS No.:

261763-15-9

Catalog Number:

AG002S1K

Molecular Formula:

C9H4ClF4N

Molecular Weight:

237.5814

Catalog Number:

AG002S1K

Chemical Name:

Benzeneacetonitrile, 3-chloro-2-fluoro-5-(trifluoromethyl)-

CAS Number:

261763-15-9

Molecular Formula:

C9H4ClF4N

Molecular Weight:

237.5814

MDL Number:

MFCD01631515

IUPAC Name:

2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]acetonitrile

InChI:

InChI=1S/C9H4ClF4N/c10-7-4-6(9(12,13)14)3-5(1-2-15)8(7)11/h3-4H,1H2

InChI Key:

VUHAOUHLFDSYEE-UHFFFAOYSA-N

SMILES:

N#CCc1cc(cc(c1F)Cl)C(F)(F)F

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.582g/mol

Monoisotopic Mass:

236.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2