(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate

C14H6Cl4O3 — CID 20714991

IUPAC(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
SMILESO=C(OC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H6Cl4O3/c15-9-5-1-3-7(11(9)17)13(19)21-14(20)8-4-2-6-10(16)12(8)18/h1-6H
InChIKeyPQQZYNVQDUZLTQ-UHFFFAOYSA-N
MW364.01 g/mol
LogP5.30
Rot. Bonds2

About (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate

(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate (PubChem CID 20714991) has the molecular formula C14H6Cl4O3 and a molecular weight of 364.01 g/mol. Its IUPAC name is (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate.

Molecular Properties

Compound Name(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
PubChem CID20714991
Molecular FormulaC14H6Cl4O3
Molecular Weight364.01 g/mol
Exact Mass361.91
IUPAC Name(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
SMILESO=C(OC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H6Cl4O3/c15-9-5-1-3-7(11(9)17)13(19)21-14(20)8-4-2-6-10(16)12(8)18/h1-6H
InChIKeyPQQZYNVQDUZLTQ-UHFFFAOYSA-N
XLogP5.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.01
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
(5-chloronaphthalene-1-carbonyl) 5-chloronaphthalene-1-carboxylate
CID 87755964
(2-bromobenzoyl) 2-chlorobenzoate
CID 88812522
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
2,3-dichlorobenzamide;hydron
CID 69226563
2,3-dichloro-N-sulfanyloxybenzamide
CID 173416374
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
1,2-bis(2-chlorophenyl)ethane-1,2-dione;1-(2,3-dichlorophenyl)-2-phenylethane-1,2-dione
CID 69255292

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate?
The IUPAC name of (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate (CID 20714991) is (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate.
What is the SMILES notation for (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate?
The canonical SMILES for (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate is O=C(OC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate?
The InChIKey is PQQZYNVQDUZLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4O3/c15-9-5-1-3-7(11(9)17)13(19)21-14(20)8-4-2-6-10(16)12(8)18/h1-6H.
What are the key properties of (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate?
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate has a molecular weight of 364.01 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorobenzoyl) 2,3-dichlorobenzoate is sourced from PubChem (CID 20714991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).