4-bromobenzoic acid;copper

C7H5BrCuO2 — CID 67824318

IUPAC4-bromobenzoic acid;copper
SMILESO=C(O)c1ccc(Br)cc1.[Cu]
InChIInChI=1S/C7H5BrO2.Cu/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);
InChIKeyILIHMPIZFOBBGE-UHFFFAOYSA-N
MW264.56 g/mol
LogP2.14
Rot. Bonds1

About 4-bromobenzoic acid;copper

4-bromobenzoic acid;copper (PubChem CID 67824318) has the molecular formula C7H5BrCuO2 and a molecular weight of 264.56 g/mol. Its IUPAC name is 4-bromobenzoic acid;copper.

Molecular Properties

Compound Name4-bromobenzoic acid;copper
PubChem CID67824318
Molecular FormulaC7H5BrCuO2
Molecular Weight264.56 g/mol
Exact Mass262.88
IUPAC Name4-bromobenzoic acid;copper
SMILESO=C(O)c1ccc(Br)cc1.[Cu]
InChIInChI=1S/C7H5BrO2.Cu/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);
InChIKeyILIHMPIZFOBBGE-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.56
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-bromophenyl)-bis(4-carboxyphenyl)methyl]benzoic acid
CID 102358127
terephthalic acid
CID 160582437
4-[amino-(4-bromophenyl)methyl]benzoic acid
CID 116938745
bromoruthenium;terephthalic acid
CID 87470713
lithium;copper;hydride;terephthalic acid
CID 175298386
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
bromobenzene;4-methylbenzoic acid
CID 175243849
zinc;oxygen(2-);terephthalic acid
CID 68542267

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzoic acid;copper?
The IUPAC name of 4-bromobenzoic acid;copper (CID 67824318) is 4-bromobenzoic acid;copper.
What is the SMILES notation for 4-bromobenzoic acid;copper?
The canonical SMILES for 4-bromobenzoic acid;copper is O=C(O)c1ccc(Br)cc1.[Cu].
What is the InChIKey of 4-bromobenzoic acid;copper?
The InChIKey is ILIHMPIZFOBBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2.Cu/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);.
What are the key properties of 4-bromobenzoic acid;copper?
4-bromobenzoic acid;copper has a molecular weight of 264.56 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzoic acid;copper is sourced from PubChem (CID 67824318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).