2-(Dichloromethyl)-2-methyl-1,3-dioxolane

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Basic information

CAS: 22052-63-7
Standard SMILES: CC1(C(Cl)Cl)OCCO1
InChIKey: OHXLAOJLJWLEIP-UHFFFAOYSA-N
Molecular formula: C5H8Cl2O2
Average molar mass: 171.02 g/mol
Monoisotopic mass: 169.9901349

Names & identifiers

Preferred name: 2-(Dichloromethyl)-2-methyl-1,3-dioxolane
IUPAC: 2-(dichloromethyl)-2-methyl-1,3-dioxolane

Names & synonyms

2-(Dichloromethyl)-2-methyl-1,3-dioxolane1,3-Dioxolane, 2-(dichloromethyl)-2-methyl-DTXSID30944680RefChem:253696DTXCID2013730182-Dichlormethyl-2-methyl-1,3-dioxolan619-210-496420-72-322052-63-7JiecaowanLPA45YG2JSSCHEMBL169049

Show more names

CHEMBL22513152-dichloromethyl-2-methyl-1,3-dioxolaneDB-098205

Database identifiers

CAS: 22052-63-7、96420-72-3
PubChem CID: 115289
DTXSID: DTXSID30944680
ChEMBL: CHEMBL2251315
UNII: LPA45YG2JS
EC Number: 619-210-4
Nikkaji: J658.928F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

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Compound notes

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