chloro formate;zinc

CHClO2Zn — CID 174416340

IUPACchloro formate;zinc
SMILESO=COCl.[Zn]
InChIInChI=1S/CHClO2.Zn/c2-4-1-3;/h1H;
InChIKeyLQSJRZFLOQJEHO-UHFFFAOYSA-N
MW145.86 g/mol
LogP0.31
Rot. Bonds1

About chloro formate;zinc

chloro formate;zinc (PubChem CID 174416340) has the molecular formula CHClO2Zn and a molecular weight of 145.86 g/mol. Its IUPAC name is chloro formate;zinc.

Molecular Properties

Compound Namechloro formate;zinc
PubChem CID174416340
Molecular FormulaCHClO2Zn
Molecular Weight145.86 g/mol
Exact Mass143.90
IUPAC Namechloro formate;zinc
SMILESO=COCl.[Zn]
InChIInChI=1S/CHClO2.Zn/c2-4-1-3;/h1H;
InChIKeyLQSJRZFLOQJEHO-UHFFFAOYSA-N
XLogP0.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.86
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro formate;1,2,3,4,5-pentafluorobenzene
CID 87090729
formyl formate
CID 90024423
selanyl formate
CID 173007921
formyl formate;hydrate
CID 158985007
dimethylamino formate;zinc
CID 174400064
chloro hypochlorite;zinc;hydrate
CID 159750781
chloro hypochlorite;zinc;hydrochloride
CID 158348288
methane;methyl formate
CID 162150401
hydron;methyl formate
CID 173190969
sulfanyl formate;hydrate
CID 173083909
amino formate;manganese
CID 87972076
chloromethane;2-methylpropanal
CID 145351273

Frequently Asked Questions

What is the IUPAC name of chloro formate;zinc?
The IUPAC name of chloro formate;zinc (CID 174416340) is chloro formate;zinc.
What is the SMILES notation for chloro formate;zinc?
The canonical SMILES for chloro formate;zinc is O=COCl.[Zn].
What is the InChIKey of chloro formate;zinc?
The InChIKey is LQSJRZFLOQJEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/CHClO2.Zn/c2-4-1-3;/h1H;.
What are the key properties of chloro formate;zinc?
chloro formate;zinc has a molecular weight of 145.86 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro formate;zinc is sourced from PubChem (CID 174416340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).