6-chloro-7-fluoro-1H-indole-2-carboxylic acid

HCID 22338079

Notes Reactions

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Basic information

Standard SMILES: O=C(O)c1cc2ccc(Cl)c(F)c2[nH]1
InChIKey: HRXULQOUYMZDIV-UHFFFAOYSA-N
Molecular formula: C9H5ClFNO2
Average molar mass: 213.59 g/mol

Names & identifiers

Preferred name: 6-chloro-7-fluoro-1H-indole-2-carboxylic acid
IUPAC: 6-chloro-7-fluoro-1H-indole-2-carboxylic acid

Names & synonyms

6-chloro-7-fluoro-1H-indole-2-carboxylic acid259860-07-6MFCD225636771H-Indole-2-carboxylic acid, 6-chloro-7-fluoro-SCHEMBL7677228SCHEMBL30310477HRXULQOUYMZDIV-UHFFFAOYSA-NJKA86007BS-476556-Chloro-7-fluoroindole-2-carboxylic AcidDB-156254CS-0311521

Show more names

6-chloro-7-fluoro-1H-indole-2-carboxylicacidE82653EN300-340394F7201486-chloranyl-7-fluoranyl-1H-indole-2-carboxylic acid

Database identifiers

PubChem CID: 22338079

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 53.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 251

Related reactions

4 records

New reaction record

HRID 692803As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 844204As productuspto-grants-2002_04

HRID 844205As reactantuspto-grants-2002_04

HRID 1200759As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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