5-Chloro-6-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid

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Basic information

CAS: 52758-56-2
Standard SMILES: O=C(O)C1CCc2cc(Cl)c(C3CCCCC3)cc21
InChIKey: XJQHZLSYWHBXNT-UHFFFAOYSA-N
Molecular formula: C16H19ClO2
Average molar mass: 278.77 g/mol
Monoisotopic mass: 278.1073575

Names & identifiers

Preferred name: 5-Chloro-6-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
IUPAC: 5-chloro-6-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid

Names & synonyms

52758-56-25-Chloro-6-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acidSCHEMBL11677122DTXSID10614571XJQHZLSYWHBXNT-UHFFFAOYSA-N5-chloro-6-cyclohexyl-1-indanecarboxylic acid

Database identifiers

CAS: 52758-56-2
PubChem CID: 21484473
DTXSID: DTXSID10614571

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 338

Related reactions

2 records

New reaction record

HRID 1415328As productuspto-grants-1977_01

HRID 1579111As productuspto-grants-1976_02

Compound notes

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