2-chloroacetyl chloride;1,2-dichlorobenzene

C8H6Cl4O — CID 174927592

IUPAC2-chloroacetyl chloride;1,2-dichlorobenzene
SMILESClc1ccccc1Cl.O=C(Cl)CCl
InChIInChI=1S/C6H4Cl2.C2H2Cl2O/c7-5-3-1-2-4-6(5)8;3-1-2(4)5/h1-4H;1H2
InChIKeyAWTDADQZIOTQIF-UHFFFAOYSA-N
MW259.95 g/mol
LogP3.98
Rot. Bonds1

About 2-chloroacetyl chloride;1,2-dichlorobenzene

2-chloroacetyl chloride;1,2-dichlorobenzene (PubChem CID 174927592) has the molecular formula C8H6Cl4O and a molecular weight of 259.95 g/mol. Its IUPAC name is 2-chloroacetyl chloride;1,2-dichlorobenzene.

Molecular Properties

Compound Name2-chloroacetyl chloride;1,2-dichlorobenzene
PubChem CID174927592
Molecular FormulaC8H6Cl4O
Molecular Weight259.95 g/mol
Exact Mass257.92
IUPAC Name2-chloroacetyl chloride;1,2-dichlorobenzene
SMILESClc1ccccc1Cl.O=C(Cl)CCl
InChIInChI=1S/C6H4Cl2.C2H2Cl2O/c7-5-3-1-2-4-6(5)8;3-1-2(4)5/h1-4H;1H2
InChIKeyAWTDADQZIOTQIF-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloroacetyl chloride;1,2-dichlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2-diol;2-chloroacetyl chloride
CID 160709908
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
azane;1,2-dichlorobenzene
CID 70584322
1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene
CID 12502551
N-(chloromethyl)-N-(2-chlorophenyl)carbamoyl chloride
CID 13195554
[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate
CID 21439652
1,2-dichlorobenzene;1,1-dimethylurea
CID 161139113
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
1-chloro-4-(2-chlorophenyl)-4-hydroxybutan-2-one
CID 86094254
2-chloroacetyl chloride;ethane
CID 144520290
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;1,2-dichlorobenzene?
The IUPAC name of 2-chloroacetyl chloride;1,2-dichlorobenzene (CID 174927592) is 2-chloroacetyl chloride;1,2-dichlorobenzene.
What is the SMILES notation for 2-chloroacetyl chloride;1,2-dichlorobenzene?
The canonical SMILES for 2-chloroacetyl chloride;1,2-dichlorobenzene is Clc1ccccc1Cl.O=C(Cl)CCl.
What is the InChIKey of 2-chloroacetyl chloride;1,2-dichlorobenzene?
The InChIKey is AWTDADQZIOTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C2H2Cl2O/c7-5-3-1-2-4-6(5)8;3-1-2(4)5/h1-4H;1H2.
What are the key properties of 2-chloroacetyl chloride;1,2-dichlorobenzene?
2-chloroacetyl chloride;1,2-dichlorobenzene has a molecular weight of 259.95 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;1,2-dichlorobenzene is sourced from PubChem (CID 174927592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).