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1,3-dimethyl-2-(nitromethylsulfonyl)benzene

1,3-dimethyl-2-(nitromethylsulfonyl)benzene structure

CAS No:
122263-14-3
Formula:
C9H11NO4S
Chemical Name:
1,3-dimethyl-2-(nitromethylsulfonyl)benzene
Synonyms:
(2,6-Dimethylphenylsulfonyl)nitromethane; Benzene,1,3-dimethyl-2-[(nitromethyl)sulfonyl];

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1,3-dimethyl-2-(nitromethylsulfonyl)benzene Basic Attributes

Molecular Weight：

229.25300

Exact Mass：

229.04087901 g/mol

DSSTox ID：

DTXSID30153553

Characteristics

PSA：

88.34000

XLogP3：

2.91530

Density：

1.298g/cm3

Boiling Point：

427ºC

Flash Point：

208.3ºC

Refractive Index：

1.541

Vapor Pressure：

2.75E-07mmHg at 25°C

Drug Information

MeSH Entry Terms：

(2,6-dimethylphenylsulfonyl)nitromethane

Computed Properties

Molecular Weight:229.26
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:229.04087901
Monoisotopic Mass:229.04087901
Topological Polar Surface Area:88.3
Heavy Atom Count:15
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-2-(nitromethylsulfonyl)benzene

Basic Attributes
Characteristics
Drug Information
Computed Properties

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