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isoxachlortole

isoxachlortole structure

CAS No:
141112-06-3
Formula:
C14H12ClNO4S
Chemical Name:
isoxachlortole
Synonyms:
Isoxachlortole; [4-chloro-2-(methylsulfonyl)phenyl](5-cyclopropyl-4-isoxazolyl)methanone; Isoxachlortole [ISO]; UNII-6BRK8TS960; [4-chloro-2-(methanesulfonyl)phenyl](5-cyclopropyl-1,2-oxazol-4-yl)methanone; (4-chloro-2-mesylphenyl)(5-cyclopropyl-1,2-oxazol-4-yl)methanone; (4-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone; Methanone,[4-chloro-2-(methylsulfonyl)phenyl](5-cyclopropyl-4-isoxazolyl);Expand

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isoxachlortole Basic Attributes

Molecular Weight：

325.76700

Exact Mass：

325.0175567

UNII：

6BRK8TS960

DSSTox ID：

DTXSID9057973

Characteristics

PSA：

85.62000

XLogP3：

3.92070

Density：

1.446g/cm3

Boiling Point：

602.574ºC at 760 mmHg

Flash Point：

318.225ºC

Refractive Index：

1.595

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:325.8
XLogP3:2.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:325.0175567
Monoisotopic Mass:325.0175567
Topological Polar Surface Area:85.6
Heavy Atom Count:21
Complexity:514
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of isoxachlortole

Basic Attributes
Characteristics
Computed Properties

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