sodium;4-chlorobutanoic acid;hydride

C4H8ClNaO2 — CID 174361289

IUPACsodium;4-chlorobutanoic acid;hydride
SMILESO=C(O)CCCCl.[H-].[Na+]
InChIInChI=1S/C4H7ClO2.Na.H/c5-3-1-2-4(6)7;;/h1-3H2,(H,6,7);;/q;+1;-1
InChIKeyKTNZDASYWAQYKF-UHFFFAOYSA-N
MW146.55 g/mol
LogP-1.79
Rot. Bonds3

About sodium;4-chlorobutanoic acid;hydride

sodium;4-chlorobutanoic acid;hydride (PubChem CID 174361289) has the molecular formula C4H8ClNaO2 and a molecular weight of 146.55 g/mol. Its IUPAC name is sodium;4-chlorobutanoic acid;hydride.

Molecular Properties

Compound Namesodium;4-chlorobutanoic acid;hydride
PubChem CID174361289
Molecular FormulaC4H8ClNaO2
Molecular Weight146.55 g/mol
Exact Mass146.01
IUPAC Namesodium;4-chlorobutanoic acid;hydride
SMILESO=C(O)CCCCl.[H-].[Na+]
InChIInChI=1S/C4H7ClO2.Na.H/c5-3-1-2-4(6)7;;/h1-3H2,(H,6,7);;/q;+1;-1
InChIKeyKTNZDASYWAQYKF-UHFFFAOYSA-N
XLogP-1.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chlorobutanoic acid chloride
CID 53421306
7-chloroheptanoic acid
CID 13188
chloromethane;11-chloroundecanoic acid
CID 162366476
disodium;henicosanedioic acid;hydride
CID 174862400
sodium;decanedioic acid;hydride
CID 173004506
disodium;hydride;tetradecanedioic acid
CID 175393935
1-chloropentane;tetracosanoic acid
CID 174847534
1-chloropentane;decanoic acid
CID 174719935
3-chloropropanoic acid;indigane
CID 173230746
chloromethane;pentanedioic acid
CID 159659659
azane;3-chloropropanoic acid
CID 87695597
18-chlorooctadec-9-enoic acid
CID 54535239

Frequently Asked Questions

What is the IUPAC name of sodium;4-chlorobutanoic acid;hydride?
The IUPAC name of sodium;4-chlorobutanoic acid;hydride (CID 174361289) is sodium;4-chlorobutanoic acid;hydride.
What is the SMILES notation for sodium;4-chlorobutanoic acid;hydride?
The canonical SMILES for sodium;4-chlorobutanoic acid;hydride is O=C(O)CCCCl.[H-].[Na+].
What is the InChIKey of sodium;4-chlorobutanoic acid;hydride?
The InChIKey is KTNZDASYWAQYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2.Na.H/c5-3-1-2-4(6)7;;/h1-3H2,(H,6,7);;/q;+1;-1.
What are the key properties of sodium;4-chlorobutanoic acid;hydride?
sodium;4-chlorobutanoic acid;hydride has a molecular weight of 146.55 g/mol, XLogP of -1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-chlorobutanoic acid;hydride is sourced from PubChem (CID 174361289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).