 Home > Encyclopedia > 2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE

2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE

2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE structure

CAS No:
957029-93-5
Formula:
C21H20ClN3O4
Chemical Name:
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE

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2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE Basic Attributes

Molecular Weight：

413.85400

Exact Mass：

413.1142338

Characteristics

PSA：

88.60000

XLogP3：

3.36650

Density：

1.355±0.06 g/cm3 (20 °C, 760 mmHg)

Boiling Point：

708.2±60.0 °C (760 mmHg)

Computed Properties

Molecular Weight:413.9
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:413.1142338
Monoisotopic Mass:413.1142338
Topological Polar Surface Area:88.6
Heavy Atom Count:29
Complexity:689
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl 6-chloronicotinate

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2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 3-(2-CHLOROPHENYL)-4-ISOXAZOLECARBOXYLATE;

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Guide of 2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 6-CHLORONICOTINATE

Basic Attributes
Characteristics
Computed Properties
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