1,2-dichlorobenzene;prop-2-enyl formate

C10H10Cl2O2 — CID 174878144

IUPAC1,2-dichlorobenzene;prop-2-enyl formate
SMILESC=CCOC=O.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C4H6O2/c7-5-3-1-2-4-6(5)8;1-2-3-6-4-5/h1-4H;2,4H,1,3H2
InChIKeyRHJSDLCQZKXJSZ-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.34
Rot. Bonds3

About 1,2-dichlorobenzene;prop-2-enyl formate

1,2-dichlorobenzene;prop-2-enyl formate (PubChem CID 174878144) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 1,2-dichlorobenzene;prop-2-enyl formate.

Molecular Properties

Compound Name1,2-dichlorobenzene;prop-2-enyl formate
PubChem CID174878144
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name1,2-dichlorobenzene;prop-2-enyl formate
SMILESC=CCOC=O.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C4H6O2/c7-5-3-1-2-4-6(5)8;1-2-3-6-4-5/h1-4H;2,4H,1,3H2
InChIKeyRHJSDLCQZKXJSZ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;prop-2-enyl formate?
The IUPAC name of 1,2-dichlorobenzene;prop-2-enyl formate (CID 174878144) is 1,2-dichlorobenzene;prop-2-enyl formate.
What is the SMILES notation for 1,2-dichlorobenzene;prop-2-enyl formate?
The canonical SMILES for 1,2-dichlorobenzene;prop-2-enyl formate is C=CCOC=O.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;prop-2-enyl formate?
The InChIKey is RHJSDLCQZKXJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C4H6O2/c7-5-3-1-2-4-6(5)8;1-2-3-6-4-5/h1-4H;2,4H,1,3H2.
What are the key properties of 1,2-dichlorobenzene;prop-2-enyl formate?
1,2-dichlorobenzene;prop-2-enyl formate has a molecular weight of 233.09 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;prop-2-enyl formate is sourced from PubChem (CID 174878144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).