4- (4-Fluorophenoxy) butanenitrile

CAT: 0926-ZAA11522-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-ZAA11522-01Size:250 mg

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CAS Number

24115-22-8

MDL Number

MFCD07352242

Smiles

C1=CC (=CC=C1OCCCC#N) F

Molecular Formula

C10H10FNO

Molecular Weight

179.19 g/mol

Controlled

Chemical Information

4-(4-Fluorophenoxy)butanenitrile

CAS Number	24115-22-8
PubChem CID	8024314
IUPAC Name	4-(4-fluorophenoxy)butanenitrile
Molecular Formula	C10H10FNO
Molecular Weight	179.19
XLogP	2
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

C1=CC(=CC=C1OCCCC#N)F

InChI

InChI=1S/C10H10FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,8H2

InChIKey

VKAVNVYGDUPOOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24115-22-8

CID: 8024314

Formula: C10H10FNO

MW: 179.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.19
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	179.074642105
Monoisotopic Mass	179.074642105
Topological Polar Surface Area	33 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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
ICA77773-01	4- (Ethylsulfanyl) butanenitrile
WQB04296-01	4-[ (4-Methoxyphenyl) methoxy]butanenitrile
AFA43956-01	4-[4- (Hydroxymethyl) phenoxy]butanenitrile
HAA54497-01	4- (Benzylamino) butanenitrile hydrochloride
AKB21303-01	4- (2-Methoxyethoxy) butanenitrile
RDA55219-01	4- (2-Chlorophenyl) butanenitrile
IBA56386-01	4- (tert-Butoxy) butanenitrile
PBA06610-01	2- (4-Chlorophenyl) butanenitrile
ZAA88907-01	4- (3-Chlorophenoxy) butanenitrile
CWB58672-01	4- (2-Phenylethoxy) butanenitrile

Catalog	Name
sc-348043A	4- (4-fluorophenoxy) butanenitrile
OR1004562	4- (Benzyloxy) butanenitrile
GTR19254623-01	4- (Dimethylamino) butanenitrile
PC56233-01	4- (Fluorodimethylsilyl) butanenitrile
AR-A05570-01	4- (Difluoromethylsilyl) -Butanenitrile
AR-A05569-01	4- (Trifluorosilyl) -Butanenitrile
OR29418-01	4- (Morpholin-4-yl) butanenitrile
GTR19253569-01	4,4-Bis (octyloxy) butanenitrile
sc-347616	4- (2-bromophenoxy) butanenitrile
OR322886	4- (2-Hydroxyethylamino) butanenitrile