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1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate

1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate structure

CAS No:
93941-03-8
Formula:
C16H16BrNO4
Chemical Name:
1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate
Synonyms:
Propanedioic acid,2-[(5-bromo-1H-indol-3-yl)methylene]-,1,3-diethyl ester;Propanedioic acid,[(5-bromo-1H-indol-3-yl)methylene]-,diethyl ester;1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate;NSC 163288;2-(5-Bromo-1H-indol-3-ylmethylene)-malonic acid diethyl ester

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1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate Basic Attributes

Molecular Weight：

366.20700

Exact Mass：

366.21

EC Number：

300-502-2

NSC Number：

163288

DSSTox ID：

DTXSID80239917

Characteristics

PSA：

68.39000

XLogP3：

3.44000

Density：

1.474g/cm3

Boiling Point：

466.2ºC

Flash Point：

235.7ºC

Refractive Index：

1.632

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:366.21
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:365.02627
Monoisotopic Mass:365.02627
Topological Polar Surface Area:68.4
Heavy Atom Count:22
Complexity:431
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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