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diethyl 2-[[3-(bromomethyl)thiophen-2-yl]methylidene]propanedioate

diethyl 2-[[3-(bromomethyl)thiophen-2-yl]methylidene]propanedioate structure

CAS No:
104085-30-5
Formula:
C13H15BrO4S
Chemical Name:
diethyl 2-[[3-(bromomethyl)thiophen-2-yl]methylidene]propanedioate
Synonyms:
Propanedioic acid,2-[[3-(bromomethyl)-2-thienyl]methylene]-,1,3-diethyl ester; diethyl<<3-(bromomethyl)-2-thienyl>methylene>propanedioate; Diethyl 2-((3-(bromomethyl)thiophen-2-yl)methylene)malonate;

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diethyl 2-[[3-(bromomethyl)thiophen-2-yl]methylidene]propanedioate Basic Attributes

Molecular Weight：

347.22500

Exact Mass：

345.98744

DSSTox ID：

DTXSID10377311

HScode：

2934999090

Characteristics

PSA：

80.84000

XLogP3：

3.15260

Density：

1.454g/cm3

Melting Point：

60-62ºC

Boiling Point：

385.6ºC

Flash Point：

187ºC

Refractive Index：

1.582

Vapor Pressure：

3.77E-06mmHg at 25°C

Computed Properties

Molecular Weight:347.23
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:345.98744
Monoisotopic Mass:345.98744
Topological Polar Surface Area:80.8
Heavy Atom Count:19
Complexity:337
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of diethyl 2-[[3-(bromomethyl)thiophen-2-yl]methylidene]propanedioate

Basic Attributes
Characteristics
Computed Properties
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