1,2-dichlorobenzene;methyl formate

C8H8Cl2O2 — CID 162103259

IUPAC1,2-dichlorobenzene;methyl formate
SMILESCOC=O.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C2H4O2/c7-5-3-1-2-4-6(5)8;1-4-2-3/h1-4H;2H,1H3
InChIKeyZFDYNEVXNXGGBF-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.78
Rot. Bonds1

About 1,2-dichlorobenzene;methyl formate

1,2-dichlorobenzene;methyl formate (PubChem CID 162103259) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 1,2-dichlorobenzene;methyl formate.

Molecular Properties

Compound Name1,2-dichlorobenzene;methyl formate
PubChem CID162103259
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name1,2-dichlorobenzene;methyl formate
SMILESCOC=O.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C2H4O2/c7-5-3-1-2-4-6(5)8;1-4-2-3/h1-4H;2H,1H3
InChIKeyZFDYNEVXNXGGBF-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-chlorobenzene;methyl formate
CID 174955342
5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate
CID 161223968
ethane;methyl formate;naphthalene
CID 91128100
1-chloro-4-phenylbenzene;methyl formate
CID 175142329
calcium;1,2-dichlorobenzene;diformate
CID 174875023
1,2-dichlorobenzene;prop-2-enyl formate
CID 174878144
tert-butylbenzene;methyl formate
CID 174802474
azane;1,2-dichlorobenzene
CID 70584322
2-methoxypyridine;methyl formate
CID 163953366
1-tert-butyl-3-chlorobenzene;methyl formate
CID 156883526
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;methyl formate
CID 143603679

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;methyl formate?
The IUPAC name of 1,2-dichlorobenzene;methyl formate (CID 162103259) is 1,2-dichlorobenzene;methyl formate.
What is the SMILES notation for 1,2-dichlorobenzene;methyl formate?
The canonical SMILES for 1,2-dichlorobenzene;methyl formate is COC=O.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;methyl formate?
The InChIKey is ZFDYNEVXNXGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C2H4O2/c7-5-3-1-2-4-6(5)8;1-4-2-3/h1-4H;2H,1H3.
What are the key properties of 1,2-dichlorobenzene;methyl formate?
1,2-dichlorobenzene;methyl formate has a molecular weight of 207.06 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;methyl formate is sourced from PubChem (CID 162103259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).