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Dimethyl [1-(4-chlorophenyl)-2-nitroethyl]malonate

Dimethyl [1-(4-chlorophenyl)-2-nitroethyl]malonate structure

CAS No:
360072-54-4
Formula:
C13H14ClNO6
Chemical Name:
Dimethyl [1-(4-chlorophenyl)-2-nitroethyl]malonate
Synonyms:
methyl 3-(4-chlorophenyl)-2-methoxycarbonyl-4-nitrobutanoate; 3,3-dimethoxycarbonyl-1-nitro-2-(4-chlorophenyl)propane; methyl 2-carbomethoxy-4-nitro-3-(4-chlorophenyl)butyrate; methyl 2-carbomethoxy-4-nitro-3-(4-bromophenyl)butyrate; dimethyl [(1R)-1-(4-bromophenyl)-2-nitroethyl]propanedioate; dimethyl [(1S)-1-(4-bromophenyl)-2-nitroethyl]propanedioate; Propanedioic acid,[1-(4-bromophenyl)-2-nitroethyl]-,dimethyl ester;Expand

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Dimethyl [1-(4-chlorophenyl)-2-nitroethyl]malonate Basic Attributes

Molecular Weight：

315.70600

Exact Mass：

315.0509649

HScode：

2917399090

Characteristics

PSA：

98.42000

XLogP3：

2.18570

Density：

1.328g/cm3

Boiling Point：

436.7ºC at 760 mmHg

Flash Point：

217.9ºC

Refractive Index：

1.529

Computed Properties

Molecular Weight:315.70
XLogP3:2.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:315.0509649
Monoisotopic Mass:315.0509649
Topological Polar Surface Area:98.4
Heavy Atom Count:21
Complexity:373
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Dimethyl [1-(4-chlorophenyl)-2-nitroethyl]malonate

Basic Attributes
Characteristics
Computed Properties
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