(2,3-dichlorophenyl) 2,3-dichlorobenzoate

C13H6Cl4O2 — CID 68641846

IUPAC(2,3-dichlorophenyl) 2,3-dichlorobenzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl4O2/c14-8-4-1-3-7(11(8)16)13(18)19-10-6-2-5-9(15)12(10)17/h1-6H
InChIKeyXOSOIFKGPYIEFC-UHFFFAOYSA-N
MW336.00 g/mol
LogP5.52
Rot. Bonds2

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

(2,3-dichlorophenyl) 2,3-dichlorobenzoate (PubChem CID 68641846) has the molecular formula C13H6Cl4O2 and a molecular weight of 336.00 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 2,3-dichlorobenzoate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 2,3-dichlorobenzoate
PubChem CID68641846
Molecular FormulaC13H6Cl4O2
Molecular Weight336.00 g/mol
Exact Mass333.91
IUPAC Name(2,3-dichlorophenyl) 2,3-dichlorobenzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl4O2/c14-8-4-1-3-7(11(8)16)13(18)19-10-6-2-5-9(15)12(10)17/h1-6H
InChIKeyXOSOIFKGPYIEFC-UHFFFAOYSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.00
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dichlorophenyl) 2-fluorobenzoate
CID 91711756
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
(2,3-dichlorophenyl) 2-methyl-3-nitrobenzoate
CID 2707375
(2,3-dichlorophenyl) 4-ethylbenzoate
CID 91714670
(2,3-dichlorophenyl) 2-bromoacetate
CID 91723900
(2,3-dichlorophenyl) 3,4-difluorobenzoate
CID 91717059
(2,3-dichlorophenyl) 4-(trifluoromethyl)benzoate
CID 91726267
2-(2,3,4-trichlorophenoxy)carbonylbenzoic acid
CID 151222246
(2,3-dichlorophenyl) 2-methylquinoline-4-carboxylate
CID 3940930
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
[5-(2-chlorobenzoyl)oxy-9,10-dioxoanthracen-1-yl] 2-chlorobenzoate
CID 10481685

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 2,3-dichlorobenzoate?
The IUPAC name of (2,3-dichlorophenyl) 2,3-dichlorobenzoate (CID 68641846) is (2,3-dichlorophenyl) 2,3-dichlorobenzoate.
What is the SMILES notation for (2,3-dichlorophenyl) 2,3-dichlorobenzoate?
The canonical SMILES for (2,3-dichlorophenyl) 2,3-dichlorobenzoate is O=C(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl) 2,3-dichlorobenzoate?
The InChIKey is XOSOIFKGPYIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4O2/c14-8-4-1-3-7(11(8)16)13(18)19-10-6-2-5-9(15)12(10)17/h1-6H.
What are the key properties of (2,3-dichlorophenyl) 2,3-dichlorobenzoate?
(2,3-dichlorophenyl) 2,3-dichlorobenzoate has a molecular weight of 336.00 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 2,3-dichlorobenzoate is sourced from PubChem (CID 68641846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).