2-Chloro-2-nitrobutane

HCID 31076

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Basic information

CAS: 22236-53-9
Standard SMILES: CCC(C)(Cl)[N+](=O)[O-]
InChIKey: LOLZOITWNMWSFG-UHFFFAOYSA-N
Molecular formula: C4H8ClNO2
Average molar mass: 137.56 g/mol
Monoisotopic mass: 137.0243562

Names & identifiers

Preferred name: 2-Chloro-2-nitrobutane
IUPAC: 2-chloro-2-nitrobutane
English name: 2-Chloro-2-nitrobutane
Molecular weight: 0

Names & synonyms

2-Chloro-2-nitrobutane22236-53-9DTXSID70944881RefChem:1062742DTXCID301373211BRN 1751832BUTANE, 2-CHLORO-2-NITRO-AI3-280404-01-00-00279 (Beilstein Handbook Reference)SCHEMBL22443377

Database identifiers

CAS: 22236-53-9
PubChem CID: 31076
DTXSID: DTXSID70944881
Nikkaji: J35.124E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 101

Physicochemical properties

Density: 1.2444 · 1.2444 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)

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