boric acid;1-bromo-2-fluorobenzene

C6H7BBrFO3 — CID 67418169

IUPACboric acid;1-bromo-2-fluorobenzene
SMILESFc1ccccc1Br.OB(O)O
InChIInChI=1S/C6H4BrF.BH3O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4H;2-4H
InChIKeyUCXFUYUKXCKLRV-UHFFFAOYSA-N
MW236.83 g/mol
LogP0.54
Rot. Bonds

About boric acid;1-bromo-2-fluorobenzene

boric acid;1-bromo-2-fluorobenzene (PubChem CID 67418169) has the molecular formula C6H7BBrFO3 and a molecular weight of 236.83 g/mol. Its IUPAC name is boric acid;1-bromo-2-fluorobenzene.

Molecular Properties

Compound Nameboric acid;1-bromo-2-fluorobenzene
PubChem CID67418169
Molecular FormulaC6H7BBrFO3
Molecular Weight236.83 g/mol
Exact Mass235.97
IUPAC Nameboric acid;1-bromo-2-fluorobenzene
SMILESFc1ccccc1Br.OB(O)O
InChIInChI=1S/C6H4BrF.BH3O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4H;2-4H
InChIKeyUCXFUYUKXCKLRV-UHFFFAOYSA-N
XLogP0.54
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.83
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;1-bromo-2-fluorobenzene?
The IUPAC name of boric acid;1-bromo-2-fluorobenzene (CID 67418169) is boric acid;1-bromo-2-fluorobenzene.
What is the SMILES notation for boric acid;1-bromo-2-fluorobenzene?
The canonical SMILES for boric acid;1-bromo-2-fluorobenzene is Fc1ccccc1Br.OB(O)O.
What is the InChIKey of boric acid;1-bromo-2-fluorobenzene?
The InChIKey is UCXFUYUKXCKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.BH3O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4H;2-4H.
What are the key properties of boric acid;1-bromo-2-fluorobenzene?
boric acid;1-bromo-2-fluorobenzene has a molecular weight of 236.83 g/mol, XLogP of 0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1-bromo-2-fluorobenzene is sourced from PubChem (CID 67418169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).