naphthalen-1-yl carbonochloridate

C11H7ClO2 — CID 19575

IUPACnaphthalen-1-yl carbonochloridate
SMILESO=C(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyJRUFQZPDRRGHEF-UHFFFAOYSA-N
MW206.63 g/mol
LogP3.58
Rot. Bonds1

About naphthalen-1-yl carbonochloridate

naphthalen-1-yl carbonochloridate (PubChem CID 19575) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is naphthalen-1-yl carbonochloridate.

Molecular Properties

Compound Namenaphthalen-1-yl carbonochloridate
PubChem CID19575
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Namenaphthalen-1-yl carbonochloridate
SMILESO=C(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyJRUFQZPDRRGHEF-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl carbonochloridate?
The IUPAC name of naphthalen-1-yl carbonochloridate (CID 19575) is naphthalen-1-yl carbonochloridate.
What is the SMILES notation for naphthalen-1-yl carbonochloridate?
The canonical SMILES for naphthalen-1-yl carbonochloridate is O=C(Cl)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl carbonochloridate?
The InChIKey is JRUFQZPDRRGHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of naphthalen-1-yl carbonochloridate?
naphthalen-1-yl carbonochloridate has a molecular weight of 206.63 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl carbonochloridate is sourced from PubChem (CID 19575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).