4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride

C14H10Cl4O4 — CID 67933510

IUPAC4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc(-c2ccc(C(=O)O)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2O4.2ClH/c15-11-5-7(13(17)18)1-3-9(11)10-4-2-8(14(19)20)6-12(10)16;;/h1-6H,(H,17,18)(H,19,20);2*1H
InChIKeyKEMHHHLJTDZMOK-UHFFFAOYSA-N
MW384.04 g/mol
LogP4.90
Rot. Bonds3

About 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride

4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride (PubChem CID 67933510) has the molecular formula C14H10Cl4O4 and a molecular weight of 384.04 g/mol. Its IUPAC name is 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride.

Molecular Properties

Compound Name4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
PubChem CID67933510
Molecular FormulaC14H10Cl4O4
Molecular Weight384.04 g/mol
Exact Mass381.93
IUPAC Name4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc(-c2ccc(C(=O)O)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2O4.2ClH/c15-11-5-7(13(17)18)1-3-9(11)10-4-2-8(14(19)20)6-12(10)16;;/h1-6H,(H,17,18)(H,19,20);2*1H
InChIKeyKEMHHHLJTDZMOK-UHFFFAOYSA-N
XLogP4.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.04
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068
3-chloro-4-iodobenzoic acid
CID 18953341
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68947647
3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid
CID 57379048

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride?
The IUPAC name of 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride (CID 67933510) is 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride.
What is the SMILES notation for 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride?
The canonical SMILES for 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride is Cl.Cl.O=C(O)c1ccc(-c2ccc(C(=O)O)cc2Cl)c(Cl)c1.
What is the InChIKey of 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride?
The InChIKey is KEMHHHLJTDZMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O4.2ClH/c15-11-5-7(13(17)18)1-3-9(11)10-4-2-8(14(19)20)6-12(10)16;;/h1-6H,(H,17,18)(H,19,20);2*1H.
What are the key properties of 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride?
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride has a molecular weight of 384.04 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride is sourced from PubChem (CID 67933510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).