acetyl chloride;4-chloro-1,2-dimethylbenzene

C10H12Cl2O — CID 174808009

IUPACacetyl chloride;4-chloro-1,2-dimethylbenzene
SMILESCC(=O)Cl.Cc1ccc(Cl)cc1C
InChIInChI=1S/C8H9Cl.C2H3ClO/c1-6-3-4-8(9)5-7(6)2;1-2(3)4/h3-5H,1-2H3;1H3
InChIKeyGGPNKUJPYTYBJU-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.73
Rot. Bonds

About acetyl chloride;4-chloro-1,2-dimethylbenzene

acetyl chloride;4-chloro-1,2-dimethylbenzene (PubChem CID 174808009) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is acetyl chloride;4-chloro-1,2-dimethylbenzene.

Molecular Properties

Compound Nameacetyl chloride;4-chloro-1,2-dimethylbenzene
PubChem CID174808009
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Nameacetyl chloride;4-chloro-1,2-dimethylbenzene
SMILESCC(=O)Cl.Cc1ccc(Cl)cc1C
InChIInChI=1S/C8H9Cl.C2H3ClO/c1-6-3-4-8(9)5-7(6)2;1-2(3)4/h3-5H,1-2H3;1H3
InChIKeyGGPNKUJPYTYBJU-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1,2-dimethylbenzene;phosphenous acid;chloride
CID 57361684
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(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
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4-chloro-2-methylbenzoic acid;ethane
CID 145482472
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
3,4-dimethylbenzoyl chloride;methane
CID 155746404
4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
CID 70116493
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-(5-chloro-2-methylphenyl)-3-oxoprop-2-enoyl chloride
CID 18710423

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;4-chloro-1,2-dimethylbenzene?
The IUPAC name of acetyl chloride;4-chloro-1,2-dimethylbenzene (CID 174808009) is acetyl chloride;4-chloro-1,2-dimethylbenzene.
What is the SMILES notation for acetyl chloride;4-chloro-1,2-dimethylbenzene?
The canonical SMILES for acetyl chloride;4-chloro-1,2-dimethylbenzene is CC(=O)Cl.Cc1ccc(Cl)cc1C.
What is the InChIKey of acetyl chloride;4-chloro-1,2-dimethylbenzene?
The InChIKey is GGPNKUJPYTYBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.C2H3ClO/c1-6-3-4-8(9)5-7(6)2;1-2(3)4/h3-5H,1-2H3;1H3.
What are the key properties of acetyl chloride;4-chloro-1,2-dimethylbenzene?
acetyl chloride;4-chloro-1,2-dimethylbenzene has a molecular weight of 219.11 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;4-chloro-1,2-dimethylbenzene is sourced from PubChem (CID 174808009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).