3-bromo-4-fluoro-5-hydroxybenzoyl chloride

C7H3BrClFO2 — CID 130775106

IUPAC3-bromo-4-fluoro-5-hydroxybenzoyl chloride
SMILESO=C(Cl)c1cc(O)c(F)c(Br)c1
InChIInChI=1S/C7H3BrClFO2/c8-4-1-3(7(9)12)2-5(11)6(4)10/h1-2,11H
InChIKeyPZXKPKCIGWGCQV-UHFFFAOYSA-N
MW253.45 g/mol
LogP2.67
Rot. Bonds1

About 3-bromo-4-fluoro-5-hydroxybenzoyl chloride

3-bromo-4-fluoro-5-hydroxybenzoyl chloride (PubChem CID 130775106) has the molecular formula C7H3BrClFO2 and a molecular weight of 253.45 g/mol. Its IUPAC name is 3-bromo-4-fluoro-5-hydroxybenzoyl chloride.

Molecular Properties

Compound Name3-bromo-4-fluoro-5-hydroxybenzoyl chloride
PubChem CID130775106
Molecular FormulaC7H3BrClFO2
Molecular Weight253.45 g/mol
Exact Mass251.90
IUPAC Name3-bromo-4-fluoro-5-hydroxybenzoyl chloride
SMILESO=C(Cl)c1cc(O)c(F)c(Br)c1
InChIInChI=1S/C7H3BrClFO2/c8-4-1-3(7(9)12)2-5(11)6(4)10/h1-2,11H
InChIKeyPZXKPKCIGWGCQV-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-5-hydroxybenzoyl chloride?
The IUPAC name of 3-bromo-4-fluoro-5-hydroxybenzoyl chloride (CID 130775106) is 3-bromo-4-fluoro-5-hydroxybenzoyl chloride.
What is the SMILES notation for 3-bromo-4-fluoro-5-hydroxybenzoyl chloride?
The canonical SMILES for 3-bromo-4-fluoro-5-hydroxybenzoyl chloride is O=C(Cl)c1cc(O)c(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-5-hydroxybenzoyl chloride?
The InChIKey is PZXKPKCIGWGCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFO2/c8-4-1-3(7(9)12)2-5(11)6(4)10/h1-2,11H.
What are the key properties of 3-bromo-4-fluoro-5-hydroxybenzoyl chloride?
3-bromo-4-fluoro-5-hydroxybenzoyl chloride has a molecular weight of 253.45 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-5-hydroxybenzoyl chloride is sourced from PubChem (CID 130775106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).