MCPA-2-ethylhexyl ester

CAT: 0024-sc-235576Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-235576Size:100 mg

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CAS Number

29450-45-1

Chemical Information

MCPA-2-ethylhexyl

CAS Number	29450-45-1
PubChem CID	93128
IUPAC Name	2-ethylhexyl 2-(4-chloro-2-methylphenoxy)acetate
Molecular Formula	C17H25ClO3
Molecular Weight	312.8
XLogP	5.9
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Heavy Atom Count	21
Formal Charge	0
Complexity	296

SMILES

CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C17H25ClO3/c1-4-6-7-14(5-2)11-21-17(19)12-20-16-9-8-15(18)10-13(16)3/h8-10,14H,4-7,11-12H2,1-3H3

InChIKey

IDGRPSMONFWWEK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29450-45-1

CID: 93128

Formula: C17H25ClO3

MW: 312.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.8
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	312.1492223
Monoisotopic Mass	312.1492223
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	296
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
sc-234604	Dichloroprop-2-ethylhexyl ester
sc-488147	2-Ethylhexyl Phosphate (Mono- and Di- Ester mixture)
sc-391826	2,3,4,5-Tetrabromobenzoic Acid 2-Ethylhexyl Ester
sc-497596	2-Ethylhexyl Tetrabromophthalate
sc-238036	2-Ethylhexyl methacrylate
sc-230289A	2-Ethylhexyl nitrate
sc-503335	1,2,4-Benzenetricarboxylic Acid 2,4-Bis (2-ethylhexyl) Ester
sc-495844	2-Ethylhexyl hexadecanoate
sc-485992	2-Ethylhexyl Benzoate
sc-225348	2-Ethylhexyl bromide

Catalog	Name
FM183671-01	MCPA 2-ethylhexyl ester
454234-01	MCPA-2-ethylhexyl Ester
454231-01	MCPA Ethyl Ester
TRC-M199715-1G	MCPA Methyl Ester
CS-O-55010	MCPA-Butoxyethyl Ester
TRC-M199710-500MG	MCPA Isooctyl Ester
454232-01	MCPA Isooctyl Ester discontinued
TRC-M199707-25MG	MCPA Ethyl Ester-D3
446697-01	Dichloroprop-2-ethylhexyl ester
TRC-E193600-750MG	Indomethacin 2-Ethylhexyl Ester