benzoic acid;copper;hydrobromide

C14H13BrCuO4 — CID 66872398

IUPACbenzoic acid;copper;hydrobromide
SMILESBr.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cu]
InChIInChI=1S/2C7H6O2.BrH.Cu/c2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);1H;
InChIKeyKJYMUQMELNHXLI-UHFFFAOYSA-N
MW388.70 g/mol
LogP3.35
Rot. Bonds2

About benzoic acid;copper;hydrobromide

benzoic acid;copper;hydrobromide (PubChem CID 66872398) has the molecular formula C14H13BrCuO4 and a molecular weight of 388.70 g/mol. Its IUPAC name is benzoic acid;copper;hydrobromide.

Molecular Properties

Compound Namebenzoic acid;copper;hydrobromide
PubChem CID66872398
Molecular FormulaC14H13BrCuO4
Molecular Weight388.70 g/mol
Exact Mass386.93
IUPAC Namebenzoic acid;copper;hydrobromide
SMILESBr.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cu]
InChIInChI=1S/2C7H6O2.BrH.Cu/c2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);1H;
InChIKeyKJYMUQMELNHXLI-UHFFFAOYSA-N
XLogP3.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;copper;hydrobromide?
The IUPAC name of benzoic acid;copper;hydrobromide (CID 66872398) is benzoic acid;copper;hydrobromide.
What is the SMILES notation for benzoic acid;copper;hydrobromide?
The canonical SMILES for benzoic acid;copper;hydrobromide is Br.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cu].
What is the InChIKey of benzoic acid;copper;hydrobromide?
The InChIKey is KJYMUQMELNHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.BrH.Cu/c2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);1H;.
What are the key properties of benzoic acid;copper;hydrobromide?
benzoic acid;copper;hydrobromide has a molecular weight of 388.70 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;copper;hydrobromide is sourced from PubChem (CID 66872398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).