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5-methylsulfonyl-3-nitrobenzene-1,2-diol

5-methylsulfonyl-3-nitrobenzene-1,2-diol structure

CAS No:
125628-92-4
Formula:
C7H7NO6S
Chemical Name:
5-methylsulfonyl-3-nitrobenzene-1,2-diol
Synonyms:
5-(Methylsulfonyl)-3-nitro-1,2-benzenediol; 1,2-Benzenedid,5-(methylsulfonyl)-3-nitro; 1,2-Benzenediol,5-(methylsulfonyl)-3-nitro;

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5-methylsulfonyl-3-nitrobenzene-1,2-diol Basic Attributes

Molecular Weight：

233.19900

Exact Mass：

232.99940812

DSSTox ID：

DTXSID70154807

Characteristics

PSA：

128.80000

XLogP3：

2.01350

Density：

1.666g/cm3

Boiling Point：

464.6ºC

Flash Point：

234.8ºC

Refractive Index：

1.622

Vapor Pressure：

2.96E-09mmHg at 25°C

Computed Properties

Molecular Weight:233.20
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:232.99940812
Monoisotopic Mass:232.99940812
Topological Polar Surface Area:129
Heavy Atom Count:15
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-methylsulfonyl-3-nitrobenzene-1,2-diol

Basic Attributes
Characteristics
Computed Properties

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