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Acetochlor ESA

Acetochlor ESA structure

CAS No:
187022-11-3
Formula:
C14H21NO5S
Chemical Name:
Acetochlor ESA
Synonyms:
Ethanesulfonic acid,2-[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxo-;2-[(Ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxoethanesulfonic acid;Acetochlor ESA
Categories:
Chemical Reagents > Organic Reagents

Description

Acetochlor ESA is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. It has a role as a marine xenobiotic metabolite. It is an organosulfonic acid, an ether and an aromatic amide.

Acetochlor ESA Basic Attributes

Molecular Weight：

337.36707

Exact Mass：

315.39

UNII：

R7MV6SGC16

DSSTox ID：

DTXSID6037483

Characteristics

PSA：

95.12000

XLogP3：

2.51040

Density：

1.271±0.06 g/cm3(Predicted)

Safety Information

hazard class code：

22-36/37/38

safety instructions：

Marks：

Computed Properties

Molecular Weight:315.39
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:315.11404394
Monoisotopic Mass:315.11404394
Topological Polar Surface Area:92.3
Heavy Atom Count:21
Complexity:431
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes