(4-Chloro-2-methylphenoxy)acetic acid isooctyl ester

6-methylheptyl 2-(4-chloro-2-methylphenoxy)acetate

CAS: 1238777-58-6

Molecular Formula	`C17H25ClO3`
Molecular Weight	312.8 g/mol
LogP	5.9
Topological Polar Surface Area	35.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	312.14923
Heavy Atoms	21
Complexity	294.0

Chemical Identifiers

CAS Number	1238777-58-6
SMILES	`CC1=C(C=CC(=C1)Cl)OCC(=O)OCCCCCC(C)C`
InChIKey	`PDIYKJRLQHHRAG-UHFFFAOYSA-N`

📖 Product Overview

(4-Chloro-2-methylphenoxy)acetic acid isooctyl ester (CAS: 1238777-58-6) is a chemical compound with molecular formula C17H25ClO3 and molecular weight 312.8 g/mol. Its IUPAC systematic name is 6-methylheptyl 2-(4-chloro-2-methylphenoxy)acetate. LogP 5.9 Topological Polar Surface Area 35.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 10 Exact Mass 312.14923 Heavy Atoms 21 Complexity 294.0 InChI Key: PDIYKJRLQHHRAG-UHFFFAOYSA-N. SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)OCCCCCC(C)C.

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