5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride

C13H9Br2ClO2 — CID 138584228

IUPAC5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(Br)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2O2.ClH/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17;/h1-7H,(H,16,17);1H
InChIKeyVFCLTFFSLNXLMU-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.00
Rot. Bonds2

About 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride

5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride (PubChem CID 138584228) has the molecular formula C13H9Br2ClO2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
PubChem CID138584228
Molecular FormulaC13H9Br2ClO2
Molecular Weight392.47 g/mol
Exact Mass389.87
IUPAC Name5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(Br)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2O2.ClH/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17;/h1-7H,(H,16,17);1H
InChIKeyVFCLTFFSLNXLMU-UHFFFAOYSA-N
XLogP5.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-bromo-2-(4-bromophenyl)phenyl]-4-oxobutanoic acid
CID 141312200
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
CID 144689894
CID 144689894
5-bromo-2-(1,2-thiazol-5-yl)benzoic acid
CID 130986270
5-bromo-2-(2,4-dimethylphenyl)benzoic acid
CID 114032341
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-bromo-2-(2,3-dimethylphenyl)benzoic acid
CID 114032340
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride?
The IUPAC name of 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride (CID 138584228) is 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride.
What is the SMILES notation for 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride?
The canonical SMILES for 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride is Cl.O=C(O)c1cc(Br)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride?
The InChIKey is VFCLTFFSLNXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2O2.ClH/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17;/h1-7H,(H,16,17);1H.
What are the key properties of 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride?
5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride has a molecular weight of 392.47 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride is sourced from PubChem (CID 138584228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).