4-Chloromethyl-2-propyloxazole

HCID 20152427

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Basic information

CAS: 103788-63-2
Standard SMILES: CCCc1nc(CCl)co1
InChIKey: VPIIHGYMVIEXOA-UHFFFAOYSA-N
Molecular formula: C7H10ClNO
Average molar mass: 159.61 g/mol
Monoisotopic mass: 159.04509162

Names & identifiers

Preferred name: 4-Chloromethyl-2-propyloxazole
IUPAC: 4-(chloromethyl)-2-propyl-1,3-oxazole

Names & synonyms

4-chloromethyl-2-propyloxazole103788-63-2SCHEMBL20421564-(Chloromethyl)-2-propyloxazoleVPIIHGYMVIEXOA-UHFFFAOYSA-NDTXSID101301367AKOS0063853954-(chloromethyl)-2-propyl-1,3-oxazole

Database identifiers

CAS: 103788-63-2
PubChem CID: 20152427
DTXSID: DTXSID101301367

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 99.6

Related reactions

1 records

New reaction record

HRID 4398As productuspto-grants-1988_02

Compound notes

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