sodium chloromethyl carbonate

C2H2ClNaO3 — CID 175052244

IUPACsodium chloromethyl carbonate
SMILESO=C([O-])OCCl.[Na+]
InChIInChI=1S/C2H3ClO3.Na/c3-1-6-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKeyOZTJMZWANUSJLZ-UHFFFAOYSA-M
MW132.48 g/mol
LogP-3.45
Rot. Bonds1

About sodium chloromethyl carbonate

sodium chloromethyl carbonate (PubChem CID 175052244) has the molecular formula C2H2ClNaO3 and a molecular weight of 132.48 g/mol. Its IUPAC name is sodium chloromethyl carbonate.

Molecular Properties

Compound Namesodium chloromethyl carbonate
PubChem CID175052244
Molecular FormulaC2H2ClNaO3
Molecular Weight132.48 g/mol
Exact Mass131.96
IUPAC Namesodium chloromethyl carbonate
SMILESO=C([O-])OCCl.[Na+]
InChIInChI=1S/C2H3ClO3.Na/c3-1-6-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKeyOZTJMZWANUSJLZ-UHFFFAOYSA-M
XLogP-3.45
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.48
LogP ≤ 5-3.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

sodium methoxymethyl carbonate
CID 139846012
CID 172512781
CID 172512781
5-(chloromethoxy)-5-oxopentanoate
CID 71403842
bis(chloromethyl) but-2-enedioate
CID 57287087
chloromethyl acetate;indigane
CID 174459723
dilithium;4-carboxylatooxybutyl carbonate
CID 101151816
potassium;sodium;bis(2-chloroacetate)
CID 157286926
2-aminoethyl carbonate;copper(1+)
CID 174481265
beryllium bis(2-chloroacetate)
CID 146405283
chloromethoxycarbonyloxymethyl acetate
CID 54336470
sodium 2,3-dihydroxypropyl carbonate
CID 174410448
magnesium propyl carbonate
CID 22154995

Frequently Asked Questions

What is the IUPAC name of sodium chloromethyl carbonate?
The IUPAC name of sodium chloromethyl carbonate (CID 175052244) is sodium chloromethyl carbonate.
What is the SMILES notation for sodium chloromethyl carbonate?
The canonical SMILES for sodium chloromethyl carbonate is O=C([O-])OCCl.[Na+].
What is the InChIKey of sodium chloromethyl carbonate?
The InChIKey is OZTJMZWANUSJLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3ClO3.Na/c3-1-6-2(4)5;/h1H2,(H,4,5);/q;+1/p-1.
What are the key properties of sodium chloromethyl carbonate?
sodium chloromethyl carbonate has a molecular weight of 132.48 g/mol, XLogP of -3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium chloromethyl carbonate is sourced from PubChem (CID 175052244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).