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1-(methylsulfonylmethyl)-4-nitrobenzene

1-(methylsulfonylmethyl)-4-nitrobenzene structure

CAS No:
61081-34-3
Formula:
C8H9NO4S
Chemical Name:
1-(methylsulfonylmethyl)-4-nitrobenzene
Synonyms:
1-[(methylsulphonyl)methyl]-4-nitrobenzene; 2-bromo-4-nitro-benzoic acid; <<(4-nitrophenyl)methyl>sulphonyl>methane; Methyl-(4-nitro-benzyl)-sulfon; methyl 4-nitro-2-bromobenzoic acid; o-bromo-p-nitrobenzoic acid; methyl-(4-nitro-benzyl)-sulfone; 2-Brom-4-nitro-benzoesaeure;Expand

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1-(methylsulfonylmethyl)-4-nitrobenzene Basic Attributes

Molecular Weight：

215.22600

Exact Mass：

215.02522894 g/mol

NSC Number：

147344

HScode：

2904909090

Characteristics

PSA：

88.34000

XLogP3：

2.74340

Density：

1.387g/cm3

Boiling Point：

459.8ºC at 760 mmHg

Flash Point：

231.9ºC

Refractive Index：

1.569

Computed Properties

Molecular Weight:215.23
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:215.02522894
Monoisotopic Mass:215.02522894
Topological Polar Surface Area:88.3
Heavy Atom Count:14
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(methylsulfonylmethyl)-4-nitrobenzene

Basic Attributes
Characteristics
Computed Properties

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