sodium;1-chloropropan-2-yl formate;hydride

C4H8ClNaO2 — CID 174948049

IUPACsodium;1-chloropropan-2-yl formate;hydride
SMILESCC(CCl)OC=O.[H-].[Na+]
InChIInChI=1S/C4H7ClO2.Na.H/c1-4(2-5)7-3-6;;/h3-4H,2H2,1H3;;/q;+1;-1
InChIKeyGSNRTMDLKFAXTB-UHFFFAOYSA-N
MW146.55 g/mol
LogP-2.10
Rot. Bonds3

About sodium;1-chloropropan-2-yl formate;hydride

sodium;1-chloropropan-2-yl formate;hydride (PubChem CID 174948049) has the molecular formula C4H8ClNaO2 and a molecular weight of 146.55 g/mol. Its IUPAC name is sodium;1-chloropropan-2-yl formate;hydride.

Molecular Properties

Compound Namesodium;1-chloropropan-2-yl formate;hydride
PubChem CID174948049
Molecular FormulaC4H8ClNaO2
Molecular Weight146.55 g/mol
Exact Mass146.01
IUPAC Namesodium;1-chloropropan-2-yl formate;hydride
SMILESCC(CCl)OC=O.[H-].[Na+]
InChIInChI=1S/C4H7ClO2.Na.H/c1-4(2-5)7-3-6;;/h3-4H,2H2,1H3;;/q;+1;-1
InChIKeyGSNRTMDLKFAXTB-UHFFFAOYSA-N
XLogP-2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;1-chloropropan-2-yl formate;hydride?
The IUPAC name of sodium;1-chloropropan-2-yl formate;hydride (CID 174948049) is sodium;1-chloropropan-2-yl formate;hydride.
What is the SMILES notation for sodium;1-chloropropan-2-yl formate;hydride?
The canonical SMILES for sodium;1-chloropropan-2-yl formate;hydride is CC(CCl)OC=O.[H-].[Na+].
What is the InChIKey of sodium;1-chloropropan-2-yl formate;hydride?
The InChIKey is GSNRTMDLKFAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2.Na.H/c1-4(2-5)7-3-6;;/h3-4H,2H2,1H3;;/q;+1;-1.
What are the key properties of sodium;1-chloropropan-2-yl formate;hydride?
sodium;1-chloropropan-2-yl formate;hydride has a molecular weight of 146.55 g/mol, XLogP of -2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-chloropropan-2-yl formate;hydride is sourced from PubChem (CID 174948049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).