2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride

C14H11Cl3O4 — CID 67933497

IUPAC2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccccc1-c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H9ClO4.2ClH/c15-8-5-6-10(12(7-8)14(18)19)9-3-1-2-4-11(9)13(16)17;;/h1-7H,(H,16,17)(H,18,19);2*1H
InChIKeyVDSNJERXLWAMFH-UHFFFAOYSA-N
MW349.60 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride

2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride (PubChem CID 67933497) has the molecular formula C14H11Cl3O4 and a molecular weight of 349.60 g/mol. Its IUPAC name is 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride.

Molecular Properties

Compound Name2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
PubChem CID67933497
Molecular FormulaC14H11Cl3O4
Molecular Weight349.60 g/mol
Exact Mass347.97
IUPAC Name2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccccc1-c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H9ClO4.2ClH/c15-8-5-6-10(12(7-8)14(18)19)9-3-1-2-4-11(9)13(16)17;;/h1-7H,(H,16,17)(H,18,19);2*1H
InChIKeyVDSNJERXLWAMFH-UHFFFAOYSA-N
XLogP4.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.60
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
4-chloro-2-phenylbenzoic acid
CID 11424784
1,4-dichlorobenzene;phthalic acid
CID 146444395
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride?
The IUPAC name of 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride (CID 67933497) is 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride.
What is the SMILES notation for 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride?
The canonical SMILES for 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride is Cl.Cl.O=C(O)c1ccccc1-c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride?
The InChIKey is VDSNJERXLWAMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO4.2ClH/c15-8-5-6-10(12(7-8)14(18)19)9-3-1-2-4-11(9)13(16)17;;/h1-7H,(H,16,17)(H,18,19);2*1H.
What are the key properties of 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride?
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride has a molecular weight of 349.60 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride is sourced from PubChem (CID 67933497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).