Name: Name:4-(Trifluoromethyl)phenylacetonitrile
Brand: Angene
SKU: AG002N1Y
Rating: 90 (10 reviews)

4-(Trifluoromethyl)phenylacetonitrile

CAS No.:

2338-75-2

Catalog Number:

AG002N1Y

Molecular Formula:

C9H6F3N

Molecular Weight:

185.1458

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

25g

≥98%

In Stock USA

United States

$101

- +

Product Description

Catalog Number:

AG002N1Y

Chemical Name:

4-(Trifluoromethyl)phenylacetonitrile

CAS Number:

2338-75-2

Molecular Formula:

C9H6F3N

Molecular Weight:

185.1458

MDL Number:

MFCD00001921

IUPAC Name:

2-[4-(trifluoromethyl)phenyl]acetonitrile

InChI:

InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5H2

InChI Key:

QNKOCFJZJWOXDE-UHFFFAOYSA-N

SMILES:

N#CCc1ccc(cc1)C(F)(F)F

EC Number:

219-052-2

Properties

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.149g/mol

Monoisotopic Mass:

185.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
A comprehensive investigation of the chemistry and basicity of a parent amidoruthenium complex.	Journal of the American Chemical Society 20020501
[4-(Trifluoromethyl)phenyl]acetonitrile.	Acta crystallographica. Section C, Crystal structure communications 20020301

Properties