7-bromo-3-hydroxynaphthalene-1-carbonyl chloride

C11H6BrClO2 — CID 24971985

IUPAC7-bromo-3-hydroxynaphthalene-1-carbonyl chloride
SMILESO=C(Cl)c1cc(O)cc2ccc(Br)cc12
InChIInChI=1S/C11H6BrClO2/c12-7-2-1-6-3-8(14)5-10(11(13)15)9(6)4-7/h1-5,14H
InChIKeyIFFVRQKXIRHBTO-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.69
Rot. Bonds1

About 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride

7-bromo-3-hydroxynaphthalene-1-carbonyl chloride (PubChem CID 24971985) has the molecular formula C11H6BrClO2 and a molecular weight of 285.52 g/mol. Its IUPAC name is 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride.

Molecular Properties

Compound Name7-bromo-3-hydroxynaphthalene-1-carbonyl chloride
PubChem CID24971985
Molecular FormulaC11H6BrClO2
Molecular Weight285.52 g/mol
Exact Mass283.92
IUPAC Name7-bromo-3-hydroxynaphthalene-1-carbonyl chloride
SMILESO=C(Cl)c1cc(O)cc2ccc(Br)cc12
InChIInChI=1S/C11H6BrClO2/c12-7-2-1-6-3-8(14)5-10(11(13)15)9(6)4-7/h1-5,14H
InChIKeyIFFVRQKXIRHBTO-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.69
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 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride?
The IUPAC name of 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride (CID 24971985) is 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride.
What is the SMILES notation for 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride?
The canonical SMILES for 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride is O=C(Cl)c1cc(O)cc2ccc(Br)cc12.
What is the InChIKey of 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride?
The InChIKey is IFFVRQKXIRHBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClO2/c12-7-2-1-6-3-8(14)5-10(11(13)15)9(6)4-7/h1-5,14H.
What are the key properties of 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride?
7-bromo-3-hydroxynaphthalene-1-carbonyl chloride has a molecular weight of 285.52 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-hydroxynaphthalene-1-carbonyl chloride is sourced from PubChem (CID 24971985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).