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2-Bromo-5-methoxy-β-oxobenzenepropanenitrile

2-Bromo-5-methoxy-β-oxobenzenepropanenitrile structure

CAS No:
175136-65-9
Formula:
C10H8BrNO2
Chemical Name:
2-Bromo-5-methoxy-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,2-bromo-5-methoxy-β-oxo-;2-Bromo-5-methoxy-β-oxobenzenepropanenitrile

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2-Bromo-5-methoxy-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

254.08

Exact Mass：

254.08

DSSTox ID：

DTXSID30384421

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

2.55408

Density：

1.485g/cm3

Melting Point：

92 °C

Boiling Point：

389.3ºC at 760 mmHg

Flash Point：

189.3ºC

Refractive Index：

1.558

Vapor Pressure：

2.87E-06mmHg at 25°C

Computed Properties

Molecular Weight:254.08
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:252.97384
Monoisotopic Mass:252.97384
Topological Polar Surface Area:50.1
Heavy Atom Count:14
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Bromo-5-methoxy-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Computed Properties

2-Bromo-5-methoxy-β-oxobenzenepropanenitrile

SDS

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