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ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate

ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate structure

CAS No:
65602-77-9
Formula:
C14H12BrNO3
Chemical Name:
ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate
Synonyms:
NSC308005;65602-77-9;CHEMBL1988964;DTXSID20316872;NSC-308005;NCI60_002635;DS-009725;Benz[cd]indole-2-carboxylic acid,3,4,5-tetrahydro-5-oxo-, ethyl ester;Benz[cd]indole-2-carboxylic acid, 4-bromo-1,3,4, 5-tetrahydro-5-oxo-, ethyl ester

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ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate Basic Attributes

Molecular Weight：

322.15 g/mol

Exact Mass：

321.00006 g/mol

NSC Number：

308005

DSSTox ID：

DTXSID20316872

Characteristics

PSA：

59.2 Å²

XLogP3：

2.84690

Computed Properties

Molecular Weight:322.15
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:321.00006
Monoisotopic Mass:321.00006
Topological Polar Surface Area:59.2
Heavy Atom Count:19
Complexity:400
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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