CAS 35300-93-7 2-chlorododecanoic Acid (HCID 4387370)

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Basic information

CAS: 35300-93-7
Standard SMILES: CCCCCCCCCCC(Cl)C(=O)O
InChIKey: VMDJHUIQKPMKOC-UHFFFAOYSA-N
Molecular formula: C12H23ClO2
Average molar mass: 234.76 g/mol
Monoisotopic mass: 234.13865766

Names & identifiers

Preferred name: 2-chlorododecanoic Acid
IUPAC: 2-chlorododecanoic acid

Names & synonyms

2-chlorododecanoic Acid35300-93-7DTXSID50402732RefChem:259486DTXCID40353587alpha-chlorolauric acidalpha-chlorododecanoic acidSCHEMBL1158454VMDJHUIQKPMKOC-UHFFFAOYSA-NAKOS024368664ST51003174

Database identifiers

CAS: 35300-93-7
PubChem CID: 4387370
DTXSID: DTXSID50402732

Properties

Computed structural propertiesFilling in

XLogP: 5.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 15
Formal charge: 0
Complexity: 160

Related reactions

6 records

New reaction record

HRID 282244As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1780686As productuspto-grants-1997_05

HRID 1902398As reactantuspto-grants-1982_12

HRID 2149633As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2210836As productuspto-grants-1995_10

HRID 2417574As reactantuspto-grants-1984_09

Compound notes

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