2,4-dichloro-3-methylbenzoyl chloride

C8H5Cl3O — CID 13235952

IUPAC2,4-dichloro-3-methylbenzoyl chloride
SMILESCc1c(Cl)ccc(C(=O)Cl)c1Cl
InChIInChI=1S/C8H5Cl3O/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3
InChIKeyUYIOIFBHFVCZSM-UHFFFAOYSA-N
MW223.49 g/mol
LogP3.68
Rot. Bonds1

About 2,4-dichloro-3-methylbenzoyl chloride

2,4-dichloro-3-methylbenzoyl chloride (PubChem CID 13235952) has the molecular formula C8H5Cl3O and a molecular weight of 223.49 g/mol. Its IUPAC name is 2,4-dichloro-3-methylbenzoyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-methylbenzoyl chloride
PubChem CID13235952
Molecular FormulaC8H5Cl3O
Molecular Weight223.49 g/mol
Exact Mass221.94
IUPAC Name2,4-dichloro-3-methylbenzoyl chloride
SMILESCc1c(Cl)ccc(C(=O)Cl)c1Cl
InChIInChI=1S/C8H5Cl3O/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3
InChIKeyUYIOIFBHFVCZSM-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.49
LogP ≤ 53.68
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-chloro-3,4-dimethylbenzoyl chloride
CID 173294556
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822
(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 175158311
3,4-dichloro-2-methylsulfinylbenzoyl chloride
CID 174353763
2-chlorobenzoyl chloride;iron;1,2-xylene
CID 174484183
(2,4-dichloro-3-methylphenyl)-phenylmethanethione
CID 156633225
2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride
CID 22114946
4-chloro-2-fluoro-3-methylbenzamide
CID 83385455
4-carbonochloridoyl-3-chlorophthalic acid
CID 172696921
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
1-(2-chloro-3,4-dimethylphenyl)ethanone
CID 90395223
2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride
CID 12056776

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methylbenzoyl chloride?
The IUPAC name of 2,4-dichloro-3-methylbenzoyl chloride (CID 13235952) is 2,4-dichloro-3-methylbenzoyl chloride.
What is the SMILES notation for 2,4-dichloro-3-methylbenzoyl chloride?
The canonical SMILES for 2,4-dichloro-3-methylbenzoyl chloride is Cc1c(Cl)ccc(C(=O)Cl)c1Cl.
What is the InChIKey of 2,4-dichloro-3-methylbenzoyl chloride?
The InChIKey is UYIOIFBHFVCZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3.
What are the key properties of 2,4-dichloro-3-methylbenzoyl chloride?
2,4-dichloro-3-methylbenzoyl chloride has a molecular weight of 223.49 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methylbenzoyl chloride is sourced from PubChem (CID 13235952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).