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isoindigotin

isoindigotin structure

CAS No:
476-34-6
Formula:
C16H12N2O
Chemical Name:
isoindigotin
Synonyms:
isoindigo;isoindigotin;UNII-6UE33XXJ1Y;6UE33XXJ1Y;CHEMBL515155;(E)-[3,3"-Biindolinylidene]-2,2"-dione;(3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one;180479-95-2
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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isoindigotin Basic Attributes

Molecular Weight：

262.263

Exact Mass：

262.074219

UNII：

6UE33XXJ1Y

NSC Number：

717810

Characteristics

PSA：

65.18000

XLogP3：

1.25

Density：

1.4±0.1 g/cm3

Melting Point：

398 °C

Boiling Point：

576.3±50.0 °C at 760 mmHg

Flash Point：

245.1±30.3 °C

Refractive Index：

1.709

Vapor Pressure：

2.79E-13mmHg at 25°C

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

isoindigo

Computed Properties

Molecular Weight:262.26
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:262.074227566
Monoisotopic Mass:262.074227566
Topological Polar Surface Area:65.4
Heavy Atom Count:20
Complexity:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 476-34-6

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