4- (3-Chlorophenoxy) butanenitrile

CAT: 0926-ZAA88907-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZAA88907-01Size:0.5 g

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CAS Number

24889-07-4

MDL Number

MFCD09942210

Smiles

C1=CC (=CC (=C1) Cl) OCCCC#N

Molecular Formula

C10H10ClNO

Molecular Weight

195.64 g/mol

Controlled

Chemical Information

4-(3-Chlorophenoxy)butanenitrile

CAS Number	24889-07-4
PubChem CID	24702998
IUPAC Name	4-(3-chlorophenoxy)butanenitrile
Molecular Formula	C10H10ClNO
Molecular Weight	195.64
XLogP	3
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	187

SMILES

C1=CC(=CC(=C1)Cl)OCCCC#N

InChI

InChI=1S/C10H10ClNO/c11-9-4-3-5-10(8-9)13-7-2-1-6-12/h3-5,8H,1-2,7H2

InChIKey

MQFQUIIIMDMFLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24889-07-4

CID: 24702998

Formula: C10H10ClNO

MW: 195.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.64
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	195.0450916
Monoisotopic Mass	195.0450916
Topological Polar Surface Area	33 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	187
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
SQB09033-01	4- (3-Formylphenoxy) butanenitrile
CHB00956-01	4- (3-Aminophenoxy) butanenitrile
PDC83581-01	4- (Thiophen-3-yl) butanenitrile
HSB67606-01	4-[3- (Trifluoromethyl) phenyl]butanenitrile
WKB65711-01	4- (2,3-Dimethylphenoxy) butanenitrile
ICA77773-01	4- (Ethylsulfanyl) butanenitrile
QID13850-01	4,4,4-Trifluoro-3- (methylamino) butanenitrile
ZAA11522-01	4- (4-Fluorophenoxy) butanenitrile
DWB10544-01	4- (4-Chlorophenoxy) -3-fluorobenzonitrile
MJB73112-01	4- (3-Chlorophenoxy) benzonitrile

Catalog	Name
sc-347824	4- (3-aminophenoxy) butanenitrile
RG-A262948-01	2- (3,4-Dimethoxyphenyl) Butanenitrile
TRC-H951065-25MG	3-Hydroxy-4-(1-naphthyloxy)-butanenitrile
OR29405	4-[4- (3-chlorophenyl) piperazino]butanenitrile
425956-01	3-Hydroxy-4- (1-naphthyloxy) -butanenitrile
PC410371	3-[3- (Trifluoromethyl) -1H-pyrazol-1-yl]butanenitrile
160934	(3S) -4-Chloro-3-[ (trimethylsilyl) oxy]butanenitrile
TRC-C432720-500MG	(3S)-4-Chloro-3-[(trimethylsilyl)oxy]butanenitrile
OR94321	3-Oxo-2- (pyridin-2-yl) butanenitrile
sc-299180	(3S) - (-) -3- (1-Methyl-1H-indol-3-yl) butanenitrile