Ethyl 2- (3,4-dichlorophenoxy) butanoate

CAT: 0926-DFC30919-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-DFC30919-01Size:250 mg

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CAS Number

1378309-19-3

MDL Number

MFCD20540806

Smiles

CCC (C (=O) OCC) OC1=CC (=C (C=C1) Cl) Cl

Molecular Formula

C12H14Cl2O3

Molecular Weight

277.14 g/mol

Controlled

Chemical Information

Ethyl 2-(3,4-dichlorophenoxy)butanoate

CAS Number	1378309-19-3
PubChem CID	60730837
IUPAC Name	ethyl 2-(3,4-dichlorophenoxy)butanoate
Molecular Formula	C12H14Cl2O3
Molecular Weight	277.14
XLogP	4.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	248

SMILES

CCC(C(=O)OCC)OC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H14Cl2O3/c1-3-11(12(15)16-4-2)17-8-5-6-9(13)10(14)7-8/h5-7,11H,3-4H2,1-2H3

InChIKey

PKOOMZHJBFIUBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378309-19-3

CID: 60730837

Formula: C12H14Cl2O3

MW: 277.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.14
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	276.0319997
Monoisotopic Mass	276.0319997
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HGA24584-01	Ethyl 4- (3-Bromophenoxy) butanoate
YCA71801-01	Ethyl 4- (3-formylphenoxy) butanoate
LCA29283-01	Ethyl 3- (4-methoxyphenyl) butanoate
AJA10205-01	Ethyl 2- (4-nitrophenoxy) butanoate
NXB26476	Ethyl 4- (2-iodoethoxy) butanoate
TMA27137-01	Ethyl 4- (2-chloroacetamido) butanoate
QGC21455-01	Ethyl 4- (2,3-dichloro-phenoxy) butanoate
THC30637-01	Ethyl 4- (2,3-difluoro-phenoxy) butanoate
HBC99487-01	Ethyl 2- (3-chlorobenzoyl) butanoate
GBC55709-01	Ethyl 2- (3-methoxybenzoyl) butanoate

Catalog	Name
OR1080177-01	Ethyl 2- (2,4-dichlorophenoxy) butanoate
sc-353477	Ethyl 4- (chlorosulfonyl) butanoate
GT HW 2258-01	Ethyl 4- (dipropylamino) butanoate
OR30393	Ethyl 4- (dimethylamino) butanoate
sc-337786	Ethyl 4-methoxy-3-oxo-butanoate
OR10650-01	Ethyl 3-oxo-4- (triphenylphosphoranylidene) butanoate
E8609-66F	Ethyl 4-Oxo-4- (3-pyridyl) butanoate
TRC-E925400-100MG	Ethyl 4-Oxo-4-(3-pyridyl)butanoate
OR1028876-01	Ethyl 4- (4-Bromophenyl) butanoate
OR1013193-01	Ethyl 4- (4-Formyl-3-Hydroxyphenoxy) Butanoate