2-bromo-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid

HCID 18696556
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Basic information

Standard SMILES
O=C(O)c1c(Br)[nH]c2c1C(=O)CCC2
InChIKey
QLKVIBNNYWKJHX-UHFFFAOYSA-N
Molecular formula
C9H8BrNO3
Average molar mass
258.07 g/mol
Monoisotopic mass
256.96876

Names & identifiers

Preferred name
2-bromo-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid
IUPAC
2-bromo-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid

Names & synonyms

SCHEMBL7386800QLKVIBNNYWKJHX-UHFFFAOYSA-N2-bromo-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid

Database identifiers

PubChem CID
18696556

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
70.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Related reactions

5 records
New reaction record

Linked notes

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