dichloro 2,3-dichlorobenzene-1,4-dicarboxylate

C8H2Cl4O4 — CID 18426984

IUPACdichloro 2,3-dichlorobenzene-1,4-dicarboxylate
SMILESO=C(OCl)c1ccc(C(=O)OCl)c(Cl)c1Cl
InChIInChI=1S/C8H2Cl4O4/c9-5-3(7(13)15-11)1-2-4(6(5)10)8(14)16-12/h1-2H
InChIKeyMKAYKXMWHGKTPF-UHFFFAOYSA-N
MW303.91 g/mol
LogP3.61
Rot. Bonds2

About dichloro 2,3-dichlorobenzene-1,4-dicarboxylate

dichloro 2,3-dichlorobenzene-1,4-dicarboxylate (PubChem CID 18426984) has the molecular formula C8H2Cl4O4 and a molecular weight of 303.91 g/mol. Its IUPAC name is dichloro 2,3-dichlorobenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedichloro 2,3-dichlorobenzene-1,4-dicarboxylate
PubChem CID18426984
Molecular FormulaC8H2Cl4O4
Molecular Weight303.91 g/mol
Exact Mass301.87
IUPAC Namedichloro 2,3-dichlorobenzene-1,4-dicarboxylate
SMILESO=C(OCl)c1ccc(C(=O)OCl)c(Cl)c1Cl
InChIInChI=1S/C8H2Cl4O4/c9-5-3(7(13)15-11)1-2-4(6(5)10)8(14)16-12/h1-2H
InChIKeyMKAYKXMWHGKTPF-UHFFFAOYSA-N
XLogP3.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.91
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

chloro 3-chloro-2,4-difluorobenzoate
CID 22149771
2,3,4-trichlorobenzenecarboperoxoic acid
CID 140980172
methyl 2,3-dichloro-4-iodobenzoate
CID 134104394
chloro 4-chlorobenzoate
CID 67325757
tert-butyl 2,3-dichloro-4-hydroxybenzoate
CID 69417819
ethyl 4-bromo-2,3-dichlorobenzoate
CID 163198210
diphenyl 2-bromo-3-chlorobenzene-1,4-dicarboxylate
CID 154131158
chloro 2-trimethylsilylbenzoate
CID 174392762
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328

Frequently Asked Questions

What is the IUPAC name of dichloro 2,3-dichlorobenzene-1,4-dicarboxylate?
The IUPAC name of dichloro 2,3-dichlorobenzene-1,4-dicarboxylate (CID 18426984) is dichloro 2,3-dichlorobenzene-1,4-dicarboxylate.
What is the SMILES notation for dichloro 2,3-dichlorobenzene-1,4-dicarboxylate?
The canonical SMILES for dichloro 2,3-dichlorobenzene-1,4-dicarboxylate is O=C(OCl)c1ccc(C(=O)OCl)c(Cl)c1Cl.
What is the InChIKey of dichloro 2,3-dichlorobenzene-1,4-dicarboxylate?
The InChIKey is MKAYKXMWHGKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4O4/c9-5-3(7(13)15-11)1-2-4(6(5)10)8(14)16-12/h1-2H.
What are the key properties of dichloro 2,3-dichlorobenzene-1,4-dicarboxylate?
dichloro 2,3-dichlorobenzene-1,4-dicarboxylate has a molecular weight of 303.91 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro 2,3-dichlorobenzene-1,4-dicarboxylate is sourced from PubChem (CID 18426984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).