phenyl carbonochloridate

C7H5ClO2 — CID 15891

IUPACphenyl carbonochloridate
SMILESO=C(Cl)Oc1ccccc1
InChIInChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyAHWALFGBDFAJAI-UHFFFAOYSA-N
MW156.57 g/mol
LogP2.42
Rot. Bonds1

About phenyl carbonochloridate

phenyl carbonochloridate (PubChem CID 15891) has the molecular formula C7H5ClO2 and a molecular weight of 156.57 g/mol. Its IUPAC name is phenyl carbonochloridate.

Molecular Properties

Compound Namephenyl carbonochloridate
PubChem CID15891
Molecular FormulaC7H5ClO2
Molecular Weight156.57 g/mol
Exact Mass156.00
IUPAC Namephenyl carbonochloridate
SMILESO=C(Cl)Oc1ccccc1
InChIInChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyAHWALFGBDFAJAI-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.57
LogP ≤ 52.42
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 phenyl carbonochloridate?
The IUPAC name of phenyl carbonochloridate (CID 15891) is phenyl carbonochloridate.
What is the SMILES notation for phenyl carbonochloridate?
The canonical SMILES for phenyl carbonochloridate is O=C(Cl)Oc1ccccc1.
What is the InChIKey of phenyl carbonochloridate?
The InChIKey is AHWALFGBDFAJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H.
What are the key properties of phenyl carbonochloridate?
phenyl carbonochloridate has a molecular weight of 156.57 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl carbonochloridate is sourced from PubChem (CID 15891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).