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3-BROMO-4,5-DIETHOXY-BENZONITRILE

3-BROMO-4,5-DIETHOXY-BENZONITRILE structure

CAS No:
514856-13-4
Formula:
C11H12BrNO2
Chemical Name:
3-BROMO-4,5-DIETHOXY-BENZONITRILE
Synonyms:
3-bromo-4,5-diethoxybenzonitrile;3-bromo-4,5-diethoxy-benzonitrile;3-bromo-4,5-diethoxybenzenecarbonitrile;ACMC-20an8z;CTK4J4337;DTXSID00399567;Methyl3-aminopropionatehydrochloride;ZINC5953431;MFCD02256587;SBB029268

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3-BROMO-4,5-DIETHOXY-BENZONITRILE Basic Attributes

Molecular Weight：

270.12

Exact Mass：

269.00500

DSSTox ID：

DTXSID00399567

Characteristics

PSA：

42.2

XLogP3：

3.11818

Density：

1.41g/cm3

Boiling Point：

321.8ºC at 760 mmHg

Flash Point：

148.4ºC

Refractive Index：

1.552

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

Computed Properties

Molecular Weight:270.12
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:269.00514
Monoisotopic Mass:269.00514
Topological Polar Surface Area:42.2
Heavy Atom Count:15
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-BROMO-4,5-DIETHOXY-BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-BROMO-4,5-DIETHOXY-BENZONITRILE

SDS

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