benzoic acid;bromozinc(1+)

C7H5BrO2Zn — CID 170873639

IUPACbenzoic acid;bromozinc(1+)
SMILESO=C(O)c1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H5O2.BrH.Zn/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q-1;;+2/p-1
InChIKeyVHNLPGHOWKJBMZ-UHFFFAOYSA-M
MW266.41 g/mol
LogP2.03
Rot. Bonds1

About benzoic acid;bromozinc(1+)

benzoic acid;bromozinc(1+) (PubChem CID 170873639) has the molecular formula C7H5BrO2Zn and a molecular weight of 266.41 g/mol. Its IUPAC name is benzoic acid;bromozinc(1+).

Molecular Properties

Compound Namebenzoic acid;bromozinc(1+)
PubChem CID170873639
Molecular FormulaC7H5BrO2Zn
Molecular Weight266.41 g/mol
Exact Mass263.88
IUPAC Namebenzoic acid;bromozinc(1+)
SMILESO=C(O)c1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H5O2.BrH.Zn/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q-1;;+2/p-1
InChIKeyVHNLPGHOWKJBMZ-UHFFFAOYSA-M
XLogP2.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;bromozinc(1+)?
The IUPAC name of benzoic acid;bromozinc(1+) (CID 170873639) is benzoic acid;bromozinc(1+).
What is the SMILES notation for benzoic acid;bromozinc(1+)?
The canonical SMILES for benzoic acid;bromozinc(1+) is O=C(O)c1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of benzoic acid;bromozinc(1+)?
The InChIKey is VHNLPGHOWKJBMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5O2.BrH.Zn/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q-1;;+2/p-1.
What are the key properties of benzoic acid;bromozinc(1+)?
benzoic acid;bromozinc(1+) has a molecular weight of 266.41 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;bromozinc(1+) is sourced from PubChem (CID 170873639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).