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3-(3-bromophenyl)-1H-pyrazole-4-carbonitrile

3-(3-bromophenyl)-1H-pyrazole-4-carbonitrile structure

CAS No:
1170378-39-8
Formula:
C10H6BrN3
Chemical Name:
3-(3-bromophenyl)-1H-pyrazole-4-carbonitrile
Synonyms:
3-(3-bromophenyl)-1H-pyrazole-4-carbonitrile;CTK7C6938;CTK8F4633;MFCD11100206;SBB100357;ZINC16698736;AKOS005072267;DC-0605;MCULE-5804151498;KS-000024B3

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3-(3-bromophenyl)-1H-pyrazole-4-carbonitrile Basic Attributes

Molecular Weight：

248.07874

Exact Mass：

246.975

Characteristics

PSA：

52.5

XLogP3：

2.3

Density：

1.70±0.1 g/cm3(Predicted)

Melting Point：

136-138°

Boiling Point：

470.8±35.0 °C(Predicted)

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:248.08
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:246.97451
Monoisotopic Mass:246.97451
Topological Polar Surface Area:52.5
Heavy Atom Count:14
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3-bromophenyl)-1H-pyrazole-4-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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