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[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloro-4-nitrobenzoate

[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloro-4-nitrobenzoate structure

CAS No:
749868-28-8
Formula:
C22H17ClN2O7
Chemical Name:
[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloro-4-nitrobenzoate
Synonyms:
ZINC2643117;AKOS033615866;MCULE-1460104591;Z18394359;2-[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 2-chloro-4-nitrobenzoate;749868-28-8

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[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloro-4-nitrobenzoate Basic Attributes

Molecular Weight：

456.8 g/mol

Exact Mass：

456.0724286 g/mol

Characteristics

PSA：

113 Å²

Computed Properties

Molecular Weight:456.8
XLogP3:4.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:456.0724286
Monoisotopic Mass:456.0724286
Topological Polar Surface Area:113
Heavy Atom Count:32
Complexity:732
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloro-4-nitrobenzoate

Basic Attributes
Characteristics
Computed Properties
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