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Benzoic acid, 4-[4-[(2-broMophenyl)Methyl]-1-piperazinyl]-3-nitro-, 1,1-diMethylethyl ester

Benzoic acid, 4-[4-[(2-broMophenyl)Methyl]-1-piperazinyl]-3-nitro-, 1,1-diMethylethyl ester structure

CAS No:
1012060-13-7
Formula:
C22H26BrN3O4
Chemical Name:
Benzoic acid, 4-[4-[(2-broMophenyl)Methyl]-1-piperazinyl]-3-nitro-, 1,1-diMethylethyl ester
Synonyms:
tert-Butyl 4-(4-(2-bromobenzyl)piperazin-1-yl)-3-nitrobenzoate;tert-butyl 4-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-nitrobenzoate;tert-Butyl 4-{4-[(2-bromophenyl)methyl]piperazin-1-yl}-3-nitrobenzoate;SCHEMBL14067166;DTXSID50733013;ZINC91301746

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Benzoic acid, 4-[4-[(2-broMophenyl)Methyl]-1-piperazinyl]-3-nitro-, 1,1-diMethylethyl ester Basic Attributes

Molecular Weight：

476.36354

Exact Mass：

475.11100

DSSTox ID：

DTXSID50733013

Characteristics

PSA：

78.60000

XLogP3：

5.16090

Density：

1.374±0.06 g/cm3(Predicted)

Boiling Point：

574.6±50.0 °C(Predicted)

Computed Properties

Molecular Weight:476.4
XLogP3:4.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:475.11067
Monoisotopic Mass:475.11067
Topological Polar Surface Area:78.6
Heavy Atom Count:30
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 4-[4-[(2-broMophenyl)Methyl]-1-piperazinyl]-3-nitro-, 1,1-diMethylethyl ester

Basic Attributes
Characteristics
Computed Properties
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Benzoic acid, 4-[4-[(2-broMophenyl)Methyl]-1-piperazinyl]-3-nitro-, 1,1-diMethylethyl ester

SDS

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