2,4-DB methyl ester

CAT: 1596-AR-B02334-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B02334-03Size:50 Units

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CAS Number

18625-12-2

Synonyms

Methyl 4- (2,4-dichlorophenoxy) butanoate

Molecular Formula

C11H12Cl2O3

Molecular Weight

263.11

API Name

Butanoic Acid

Chemical Information

Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester

CAS Number	18625-12-2
PubChem CID	1490
IUPAC Name	methyl 4-(2,4-dichlorophenoxy)butanoate
Molecular Formula	C11H12Cl2O3
Molecular Weight	263.11
XLogP	3.9
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	223

SMILES

COC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H12Cl2O3/c1-15-11(14)3-2-6-16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3

InChIKey

NKXSNMCGZZWMMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18625-12-2

CID: 1490

Formula: C11H12Cl2O3

MW: 263.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.11
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	262.0163496
Monoisotopic Mass	262.0163496
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	223
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
AR-B02335-01	2,4-DB (4- (2,4-Dichlorophenoxy) butyric acid)
AR-B02336-01	2,4-DB-d3 (4- (2,4-Dichlorophenoxy) butyric acid-d3)
AR-P32848-01	2- (Acetyloxy) -2-Methyl-Propanoic Acid Methyl Ester
AR-M01463-01	2-Bromaethansulfonic Acid Methyl Ester
AR-A01409-01	2-Hydroxy Adapalene Methyl Ester
AR-M01461-01	2-Mercaptoethanesulfonic Acid Methyl Ester
AR-C06191-01	4-Methyl-Azepine-1-Carboxylic Acid Methyl Ester
AR-B01349-01	4- (Aminomethyl) benzoic acid methyl ester
AR-B06612-01	4- (Aminomethyl) benzoic acid methyl ester
AR-P32723-01	L-4-Hydroxyproline Methyl Ester HCl

Catalog	Name
TAA62512-01	2,4-DB-methyl ester
420047-01	2,4-DB methyl ester solution
sc-238310	2,4-D methyl ester
sc-256318	2,4-DCAA methyl ester
sc-335516	2,4-Pyridinecarboxylic acid, 4-methyl ester
sc-275085	2-Nitroterephthalic acid 4-methyl ester
HY-124547R	2,4-D methyl ester (Standard)
OR10102	2,4-Decadienoic acid methyl ester
sc-231006	2,4,5-T methyl ester
sc-238353	2,4,5-TP methyl ester