ethyl-3-(4-bromo-6-fluoro-1H-indol-2-yl)prop-2-enoate

HCID 69561024
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Basic information

Standard SMILES
CCOC(=O)C=Cc1cc2c(Br)cc(F)cc2[nH]1
InChIKey
JGANVQBVZZOSQP-UHFFFAOYSA-N
Molecular formula
C13H11BrFNO2
Average molar mass
312.13 g/mol

Names & identifiers

Preferred name
ethyl-3-(4-bromo-6-fluoro-1H-indol-2-yl)prop-2-enoate
IUPAC
ethyl 3-(4-bromo-6-fluoro-1H-indol-2-yl)prop-2-enoate

Names & synonyms

SCHEMBL5773922JGANVQBVZZOSQP-UHFFFAOYSA-Nethyl-3-(4-bromo-6-fluoro-1H-indol-2-yl)prop-2-enoate

Database identifiers

PubChem CID
69561024

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
42.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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