5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride

C13H5Cl5O — CID 118845592

IUPAC5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H5Cl5O/c14-6-1-2-8(10(3-6)13(18)19)9-4-7(15)5-11(16)12(9)17/h1-5H
InChIKeyZZVSRDVHWYMYLN-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.35
Rot. Bonds2

About 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride

5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride (PubChem CID 118845592) has the molecular formula C13H5Cl5O and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride.

Molecular Properties

Compound Name5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride
PubChem CID118845592
Molecular FormulaC13H5Cl5O
Molecular Weight354.45 g/mol
Exact Mass351.88
IUPAC Name5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H5Cl5O/c14-6-1-2-8(10(3-6)13(18)19)9-4-7(15)5-11(16)12(9)17/h1-5H
InChIKeyZZVSRDVHWYMYLN-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_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)benzoyl chloride
CID 171785287
2-[5-chloro-2-(2,3,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633845
5-chloro-2-fluorobenzoyl chloride
CID 2773604
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134637342
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
5-chloro-2-(2,3,4-trichlorophenyl)benzamide
CID 118834866
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride?
The IUPAC name of 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride (CID 118845592) is 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride.
What is the SMILES notation for 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride?
The canonical SMILES for 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride is O=C(Cl)c1cc(Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride?
The InChIKey is ZZVSRDVHWYMYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl5O/c14-6-1-2-8(10(3-6)13(18)19)9-4-7(15)5-11(16)12(9)17/h1-5H.
What are the key properties of 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride?
5-chloro-2-(2,3,5-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 5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride is sourced from PubChem (CID 118845592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).