2-(5-Methoxy-2-nitrophenyl)ethyl carbonochloridate

HCID 19082694

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Basic information

CAS: 179691-27-1
Standard SMILES: COc1ccc([N+](=O)[O-])c(CCOC(=O)Cl)c1
InChIKey: WKXAQUKPPFKQCH-UHFFFAOYSA-N
Molecular formula: C10H10ClNO5
Average molar mass: 259.64 g/mol
Monoisotopic mass: 259.0247501

Names & identifiers

Preferred name: 2-(5-Methoxy-2-nitrophenyl)ethyl carbonochloridate
IUPAC: 2-(5-methoxy-2-nitrophenyl)ethyl carbonochloridate

Names & synonyms

179691-27-12-(5-Methoxy-2-nitrophenyl)ethyl carbonochloridateSCHEMBL6661356DTXSID80597903WKXAQUKPPFKQCH-UHFFFAOYSA-N2-(5-methoxy-2-nitrophenyl)ethoxycarbonyl chloride

Database identifiers

CAS: 179691-27-1
PubChem CID: 19082694
DTXSID: DTXSID80597903

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 280

Related reactions

2 records

New reaction record

HRID 287139As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 963762As productuspto-grants-1998_06

Compound notes

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