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2-BROMO-4-MERCAPTOBENZOICACID

2-BROMO-4-MERCAPTOBENZOICACID structure

CAS No:
7041-50-1
Formula:
C7H5BrO2S
Chemical Name:
2-BROMO-4-MERCAPTOBENZOICACID
Synonyms:
2-BROMO-4-MERCAPTOBENZOIC ACID;2-bromo-4-sulfanylbenzoic acid;CTK5D2361;DTXSID90407786;ZINC2576375;AKOS027379767;FT-0611458

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Description

Off-White to Pale Yellow Solid

2-BROMO-4-MERCAPTOBENZOICACID Basic Attributes

Molecular Weight：

233.08200

Exact Mass：

231.91900

DSSTox ID：

DTXSID90407786

Characteristics

PSA：

76.10000

XLogP3：

2.43600

Density：

1.782 g/cm3

Melting Point：

180-182ºC

Boiling Point：

353.6ºC at 760mmHg

Flash Point：

167.6ºC

Refractive Index：

1.673

Storage Conditions：

-20ºC Freezer, Under Inert Atmosphere

Computed Properties

Molecular Weight:233.08
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:231.91936
Monoisotopic Mass:231.91936
Topological Polar Surface Area:38.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-BROMO-4-MERCAPTOBENZOICACID

Description
Basic Attributes
Characteristics
Computed Properties

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