2,3-dibromo-4H-chromene

C9H6Br2O — CID 18172585

IUPAC2,3-dibromo-4H-chromene
SMILESBrC1=C(Br)Oc2ccccc2C1
InChIInChI=1S/C9H6Br2O/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-4H,5H2
InChIKeyPRHDYDHZEFWTOI-UHFFFAOYSA-N
MW289.95 g/mol
LogP3.58
Rot. Bonds

About 2,3-dibromo-4H-chromene

2,3-dibromo-4H-chromene (PubChem CID 18172585) has the molecular formula C9H6Br2O and a molecular weight of 289.95 g/mol. Its IUPAC name is 2,3-dibromo-4H-chromene.

Molecular Properties

Compound Name2,3-dibromo-4H-chromene
PubChem CID18172585
Molecular FormulaC9H6Br2O
Molecular Weight289.95 g/mol
Exact Mass287.88
IUPAC Name2,3-dibromo-4H-chromene
SMILESBrC1=C(Br)Oc2ccccc2C1
InChIInChI=1S/C9H6Br2O/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-4H,5H2
InChIKeyPRHDYDHZEFWTOI-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.95
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4H-chromene?
The IUPAC name of 2,3-dibromo-4H-chromene (CID 18172585) is 2,3-dibromo-4H-chromene.
What is the SMILES notation for 2,3-dibromo-4H-chromene?
The canonical SMILES for 2,3-dibromo-4H-chromene is BrC1=C(Br)Oc2ccccc2C1.
What is the InChIKey of 2,3-dibromo-4H-chromene?
The InChIKey is PRHDYDHZEFWTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2O/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-4H,5H2.
What are the key properties of 2,3-dibromo-4H-chromene?
2,3-dibromo-4H-chromene has a molecular weight of 289.95 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4H-chromene is sourced from PubChem (CID 18172585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).