3- (4-Fluorophenyl) propanenitrile

CAT: 0127-PC1006989-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1006989-01Size:100 mg

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CAS Number

25468-86-4

MDL Number

MFCD08457435

Purity

97%

Smiles

N#CCCC1=CC=C(F)C=C1

Chemical Information

4-Fluorobenzenepropanenitrile

CAS Number	25468-86-4
PubChem CID	11228881
IUPAC Name	3-(4-fluorophenyl)propanenitrile
Molecular Formula	C9H8FN
Molecular Weight	149.16
XLogP	2
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	150

SMILES

C1=CC(=CC=C1CCC#N)F

InChI

InChI=1S/C9H8FN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2

InChIKey

DYOXJUSCSYEDJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25468-86-4

CID: 11228881

Formula: C9H8FN

MW: 149.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.16
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	149.064077422
Monoisotopic Mass	149.064077422
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150
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
PC410146	3-[ (4-Fluorophenyl) sulfonyl]propanenitrile
PC8986-01	3- (3-Fluorophenyl) propanenitrile
PC28091-01	(3E) -3-{[ (4-Fluorophenyl) methoxy]imino}propanenitrile
PC510022	3- (4-Fluorophenyl) -3-oxo-2- (4-pyridinyl) propanenitrile
PC410257	3- (4-Fluorophenyl) -3- (furan-2-yl) propanenitrile
PC31584	3-[ (2-fluorophenyl) thio]propanenitrile
PC103972-01	3- (4-Fluorophenyl) -3-oxo-2- (pyridazin-4-yl) propanenitrile
OR29095	3- (4-Chlorophenoxy) propanenitrile
OR962539	3- (4-Methoxyphenoxy) propanenitrile
OR28168-01	3- (4-hydroxyphenyl) propanenitrile

Catalog	Name
sc-344795A	3-[ (4-fluorophenyl) sulfanyl]propanenitrile
RG-A130995-01	3-Amino-3- (4-Fluorophenyl) Propanenitrile
WTB30840-01	2- (2-Fluorophenyl) propanenitrile
JH525539	3- (2-fluorophenyl) propanenitrile
BCA93276-01	3-[ (2-Fluorophenyl) sulfanyl]propanenitrile
JLC98004-01	3- (2-Bromo-3-fluorophenyl) propanenitrile
HSB67661-01	3- (2-Chloro-6-fluorophenyl) propanenitrile
sc-345935	3-[3- (4-fluorophenyl) -4-formyl-1H-pyrazol-1-yl]propanenitrile
XZB47436-01	2- (4-Formylphenoxy) propanenitrile
BAC04234-01	2- (4-Aminobenzenesulfonyl) propanenitrile