2-chloro-3,4-dimethylbenzoyl chloride

C9H8Cl2O — CID 173294556

IUPAC2-chloro-3,4-dimethylbenzoyl chloride
SMILESCc1ccc(C(=O)Cl)c(Cl)c1C
InChIInChI=1S/C9H8Cl2O/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3
InChIKeyOLIHYVOHAYPIDJ-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.34
Rot. Bonds1

About 2-chloro-3,4-dimethylbenzoyl chloride

2-chloro-3,4-dimethylbenzoyl chloride (PubChem CID 173294556) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 2-chloro-3,4-dimethylbenzoyl chloride.

Molecular Properties

Compound Name2-chloro-3,4-dimethylbenzoyl chloride
PubChem CID173294556
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name2-chloro-3,4-dimethylbenzoyl chloride
SMILESCc1ccc(C(=O)Cl)c(Cl)c1C
InChIInChI=1S/C9H8Cl2O/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3
InChIKeyOLIHYVOHAYPIDJ-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.34
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

2,4-dichloro-3-methylbenzoyl chloride
CID 13235952
1-(2-chloro-3,4-dimethylphenyl)ethanone
CID 90395223
2-cyano-3,4-dimethylbenzoyl chloride
CID 171015286
2,3,6-trimethylbenzoyl chloride
CID 20662008
(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate
CID 58373857
3-cyano-2,4-dimethylbenzoyl chloride
CID 171015367
2-chlorobenzoyl chloride;iron;1,2-xylene
CID 174484183
3-[(2-chloro-3,4-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 90395234
3-chloro-2-iodo-4-methylbenzoic acid
CID 14885550
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
4-hydroxy-2-methylbenzoyl chloride
CID 103689413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-dimethylbenzoyl chloride?
The IUPAC name of 2-chloro-3,4-dimethylbenzoyl chloride (CID 173294556) is 2-chloro-3,4-dimethylbenzoyl chloride.
What is the SMILES notation for 2-chloro-3,4-dimethylbenzoyl chloride?
The canonical SMILES for 2-chloro-3,4-dimethylbenzoyl chloride is Cc1ccc(C(=O)Cl)c(Cl)c1C.
What is the InChIKey of 2-chloro-3,4-dimethylbenzoyl chloride?
The InChIKey is OLIHYVOHAYPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3.
What are the key properties of 2-chloro-3,4-dimethylbenzoyl chloride?
2-chloro-3,4-dimethylbenzoyl chloride has a molecular weight of 203.07 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-dimethylbenzoyl chloride is sourced from PubChem (CID 173294556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).