7-bromo-4,6-dichlorochromen-2-one

C9H3BrCl2O2 — CID 177310536

IUPAC7-bromo-4,6-dichlorochromen-2-one
SMILESO=c1cc(Cl)c2cc(Cl)c(Br)cc2o1
InChIInChI=1S/C9H3BrCl2O2/c10-5-2-8-4(1-7(5)12)6(11)3-9(13)14-8/h1-3H
InChIKeyIMSQBPPFCVJGAQ-UHFFFAOYSA-N
MW293.93 g/mol
LogP3.86
Rot. Bonds

About 7-bromo-4,6-dichlorochromen-2-one

7-bromo-4,6-dichlorochromen-2-one (PubChem CID 177310536) has the molecular formula C9H3BrCl2O2 and a molecular weight of 293.93 g/mol. Its IUPAC name is 7-bromo-4,6-dichlorochromen-2-one.

Molecular Properties

Compound Name7-bromo-4,6-dichlorochromen-2-one
PubChem CID177310536
Molecular FormulaC9H3BrCl2O2
Molecular Weight293.93 g/mol
Exact Mass291.87
IUPAC Name7-bromo-4,6-dichlorochromen-2-one
SMILESO=c1cc(Cl)c2cc(Cl)c(Br)cc2o1
InChIInChI=1S/C9H3BrCl2O2/c10-5-2-8-4(1-7(5)12)6(11)3-9(13)14-8/h1-3H
InChIKeyIMSQBPPFCVJGAQ-UHFFFAOYSA-N
XLogP3.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67925044
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6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one
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6-chloro-4-hydroxy-7-methoxychromen-2-one
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6-chloro-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,6-dichlorochromen-2-one?
The IUPAC name of 7-bromo-4,6-dichlorochromen-2-one (CID 177310536) is 7-bromo-4,6-dichlorochromen-2-one.
What is the SMILES notation for 7-bromo-4,6-dichlorochromen-2-one?
The canonical SMILES for 7-bromo-4,6-dichlorochromen-2-one is O=c1cc(Cl)c2cc(Cl)c(Br)cc2o1.
What is the InChIKey of 7-bromo-4,6-dichlorochromen-2-one?
The InChIKey is IMSQBPPFCVJGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl2O2/c10-5-2-8-4(1-7(5)12)6(11)3-9(13)14-8/h1-3H.
What are the key properties of 7-bromo-4,6-dichlorochromen-2-one?
7-bromo-4,6-dichlorochromen-2-one has a molecular weight of 293.93 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-dichlorochromen-2-one is sourced from PubChem (CID 177310536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).