3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride

C13H5Cl5O — CID 134617312

IUPAC3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C13H5Cl5O/c14-9-4-3-8(11(16)12(9)17)7-2-1-6(13(18)19)5-10(7)15/h1-5H
InChIKeyNDTLAIPVSYSVTP-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.35
Rot. Bonds2

About 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride

3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride (PubChem CID 134617312) has the molecular formula C13H5Cl5O and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride.

Molecular Properties

Compound Name3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride
PubChem CID134617312
Molecular FormulaC13H5Cl5O
Molecular Weight354.45 g/mol
Exact Mass351.88
IUPAC Name3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C13H5Cl5O/c14-9-4-3-8(11(16)12(9)17)7-2-1-6(13(18)19)5-10(7)15/h1-5H
InChIKeyNDTLAIPVSYSVTP-UHFFFAOYSA-N
XLogP6.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

biphenylene-2,7-dicarbonyl chloride
CID 59041868
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
4-chloro-3-iodobenzoyl chloride
CID 57349940
5-chloro-2-(2,3,4-trichlorophenyl)benzamide
CID 118834866
1,2,3-trichloro-4-[2-chloro-4-(chloromethyl)phenyl]benzene
CID 134627677
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
4-tert-butyl-3-chlorobenzoyl chloride
CID 71365749
3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
CID 87232900
2-(2,3,4-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118824968
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630869
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride?
The IUPAC name of 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride (CID 134617312) is 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride.
What is the SMILES notation for 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride?
The canonical SMILES for 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride is O=C(Cl)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride?
The InChIKey is NDTLAIPVSYSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl5O/c14-9-4-3-8(11(16)12(9)17)7-2-1-6(13(18)19)5-10(7)15/h1-5H.
What are the key properties of 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride?
3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride has a molecular weight of 354.45 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride is sourced from PubChem (CID 134617312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).