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0-22-00-00026(BeilsteinHandbookReference)

0-22-00-00026(BeilsteinHandbookReference) structure

CAS No:
74039-30-8
Formula:
C5H2Br3NO2
Chemical Name:
0-22-00-00026(BeilsteinHandbookReference)
Synonyms:
0-22-00-00026 (Beilstein Handbook Reference);3,4,5-tribromo-1H-pyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 3,4,5-tribromo-

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0-22-00-00026(BeilsteinHandbookReference) Basic Attributes

Molecular Weight：

347.79

Exact Mass：

346.76152

DSSTox ID：

DTXSID40224925

Characteristics

Density：

2.699±0.06 g/cm3

Melting Point：

202-204 °C(Solv: ethanol (64-17-5); water (7732-18-5))

Boiling Point：

468.3±45.0 °C(Predicted)

PKA：

3.08±0.50

Computed Properties

Molecular Weight:347.79
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:346.76152
Monoisotopic Mass:344.76357
Topological Polar Surface Area:53.1
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 0-22-00-00026(BeilsteinHandbookReference)

Basic Attributes
Characteristics
Computed Properties

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