4,5-Dichloro-2-isopropyl-1H-imidazole

HCID 596076

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Basic information

CAS: 959244-79-2
Standard SMILES: CC(C)c1nc(Cl)c(Cl)[nH]1
InChIKey: BLTWATTXUZKZPB-UHFFFAOYSA-N
Molecular formula: C6H8Cl2N2
Average molar mass: 179.04 g/mol
Monoisotopic mass: 178.0064537

Names & identifiers

Preferred name: 4,5-Dichloro-2-isopropyl-1H-imidazole
IUPAC: 4,5-dichloro-2-propan-2-yl-1H-imidazole
English name: 1H-Imidazole, 4,5-dichloro-2-(1-methylethyl)-
Molecular formula: C6H8Cl2N2
Molecular weight: 0

Names & synonyms

4,5-Dichloro-2-isopropyl-1H-imidazole959244-79-2Imidazole, 4,5-dichloro-2-isopropyl-SCHEMBL108618084,5-Dichloro-2-isopropyl-1H-imidazole #4,5-dichloro-2-propan-2-yl-1H-imidazole1H-Imidazole, 4,5-dichloro-2-(1-methylethyl)-

Database identifiers

CAS: 959244-79-2
PubChem CID: 596076

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Chemistry & industry

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Related reactions

1 records

New reaction record

HRID 869588As reactantuspto-grants-2015_03

Compound notes

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