2-Fluorophenylacetonitrile

CAT: 0127-PC4142-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC4142-01Size:25 g

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CAS Number

326-62-5

Synonyms

2-Fluorobenzyl cyanide

MDL Number

MFCD00001897

Purity

97%

Smiles

Fc1ccccc1CC#N

Chemical Information

Benzeneacetonitrile, 2-fluoro-

CAS Number	326-62-5
PubChem CID	67592
IUPAC Name	2-(2-fluorophenyl)acetonitrile
Molecular Formula	C8H6FN
Molecular Weight	135.14
XLogP	1.9
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	147

SMILES

C1=CC=C(C(=C1)CC#N)F

InChI

InChI=1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

InChIKey

DAVJMKMVLKOQQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 326-62-5

CID: 67592

Formula: C8H6FN

MW: 135.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.14
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	135.048427358
Monoisotopic Mass	135.048427358
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC4093-01	2-Chloro-4-fluorophenylacetonitrile
PC1659	2-Bromo-3-fluorophenylacetonitrile
PC302443-01	2-Chloro-5-fluorophenylacetonitrile
PC408234-01	2-Bromo-4-fluorophenylacetonitrile
PC7746-01	2-Bromo-5-fluorophenylacetonitrile
PC1884-01	2-Chloro-6-fluorophenylacetonitrile
PC408235-01	2-Bromo-6-fluorophenylacetonitrile
PC4144-01	4-Fluorophenylacetonitrile
PC4143-01	3-Fluorophenylacetonitrile
PC302902-01	2,3-Dichloro-6-fluorophenylacetonitrile

Catalog	Name
sc-225411	2-Fluorophenylacetonitrile
415900-01	2-Bromo-4-fluorophenylacetonitrile
T7290-01	4-Chloro-2-fluorophenylacetonitrile
sc-312690	3-Chloro-2-fluorophenylacetonitrile
sc-298366A	2-Chloro-5-fluorophenylacetonitrile
LKB76196	2-Bromo-5-fluorophenylacetonitrile
416763-01	2-Chloro-4-fluorophenylacetonitrile
424174-01	3-Bromo-2-fluorophenylacetonitrile
263732-01	2-Bromo-6-fluorophenylacetonitrile
sc-311159A	5-Chloro-2-fluorophenylacetonitrile