3,5-dichlorobenzoic acid;hydrochloride

C7H5Cl3O2 — CID 70357109

IUPAC3,5-dichlorobenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2O2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H,10,11);1H
InChIKeyXEPAEGMIXXACQH-UHFFFAOYSA-N
MW227.47 g/mol
LogP3.11
Rot. Bonds1

About 3,5-dichlorobenzoic acid;hydrochloride

3,5-dichlorobenzoic acid;hydrochloride (PubChem CID 70357109) has the molecular formula C7H5Cl3O2 and a molecular weight of 227.47 g/mol. Its IUPAC name is 3,5-dichlorobenzoic acid;hydrochloride.

Molecular Properties

Compound Name3,5-dichlorobenzoic acid;hydrochloride
PubChem CID70357109
Molecular FormulaC7H5Cl3O2
Molecular Weight227.47 g/mol
Exact Mass225.94
IUPAC Name3,5-dichlorobenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2O2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H,10,11);1H
InChIKeyXEPAEGMIXXACQH-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorobenzoic acid;hydrochloride?
The IUPAC name of 3,5-dichlorobenzoic acid;hydrochloride (CID 70357109) is 3,5-dichlorobenzoic acid;hydrochloride.
What is the SMILES notation for 3,5-dichlorobenzoic acid;hydrochloride?
The canonical SMILES for 3,5-dichlorobenzoic acid;hydrochloride is Cl.O=C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichlorobenzoic acid;hydrochloride?
The InChIKey is XEPAEGMIXXACQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H,10,11);1H.
What are the key properties of 3,5-dichlorobenzoic acid;hydrochloride?
3,5-dichlorobenzoic acid;hydrochloride has a molecular weight of 227.47 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzoic acid;hydrochloride is sourced from PubChem (CID 70357109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).