chloro 4-chlorobenzoate

C7H4Cl2O2 — CID 67325757

IUPACchloro 4-chlorobenzoate
SMILESO=C(OCl)c1ccc(Cl)cc1
InChIInChI=1S/C7H4Cl2O2/c8-6-3-1-5(2-4-6)7(10)11-9/h1-4H
InChIKeyIQLGESOKERANIB-UHFFFAOYSA-N
MW191.01 g/mol
LogP2.65
Rot. Bonds1

About chloro 4-chlorobenzoate

chloro 4-chlorobenzoate (PubChem CID 67325757) has the molecular formula C7H4Cl2O2 and a molecular weight of 191.01 g/mol. Its IUPAC name is chloro 4-chlorobenzoate.

Molecular Properties

Compound Namechloro 4-chlorobenzoate
PubChem CID67325757
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01 g/mol
Exact Mass189.96
IUPAC Namechloro 4-chlorobenzoate
SMILESO=C(OCl)c1ccc(Cl)cc1
InChIInChI=1S/C7H4Cl2O2/c8-6-3-1-5(2-4-6)7(10)11-9/h1-4H
InChIKeyIQLGESOKERANIB-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.01
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
chloro 4-formylbenzoate
CID 54418752
chloro 4-(hydroxymethyl)benzoate
CID 174742184
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
CID 146494079
dimethylamino 4-chlorobenzoate
CID 134848983
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
[2-(4-bromobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 91716480
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391

Frequently Asked Questions

What is the IUPAC name of chloro 4-chlorobenzoate?
The IUPAC name of chloro 4-chlorobenzoate (CID 67325757) is chloro 4-chlorobenzoate.
What is the SMILES notation for chloro 4-chlorobenzoate?
The canonical SMILES for chloro 4-chlorobenzoate is O=C(OCl)c1ccc(Cl)cc1.
What is the InChIKey of chloro 4-chlorobenzoate?
The InChIKey is IQLGESOKERANIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2/c8-6-3-1-5(2-4-6)7(10)11-9/h1-4H.
What are the key properties of chloro 4-chlorobenzoate?
chloro 4-chlorobenzoate has a molecular weight of 191.01 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 4-chlorobenzoate is sourced from PubChem (CID 67325757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).