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1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole

1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole structure

CAS No:
13369-76-1
Formula:
C8H11BrN2
Chemical Name:
1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole
Synonyms:
1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole;4-bromo-3,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrazole;SCHEMBL2593177;1H-Pyrazole,4-bromo-3,5-dimethyl-1-(2-propen-1-yl)-;CTK5J4803;DTXSID70649268;ALBB-006335;3830AD;STK503843;ZINC32916917

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1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole Basic Attributes

Molecular Weight：

215.09034

Exact Mass：

214.01100

DSSTox ID：

DTXSID70649268

HScode：

2933199090

Characteristics

PSA：

17.8

XLogP3：

2.44840

Density：

1.35g/cm3

Boiling Point：

255.4ºC at 760 mmHg

Flash Point：

108.3ºC

Refractive Index：

1.556

Vapor Pressure：

0.0261mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:215.09
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:214.01056
Monoisotopic Mass:214.01056
Topological Polar Surface Area:17.8
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole

SDS

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