6,8-dibromo-1H-3,1-benzoxazine-2,4-dione

C8H3Br2NO3 — CID 12785992

IUPAC6,8-dibromo-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(Br)cc(Br)cc2c(=O)o1
InChIInChI=1S/C8H3Br2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)
InChIKeyISBVTKNCSLRDBE-UHFFFAOYSA-N
MW320.92 g/mol
LogP2.01
Rot. Bonds

About 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione

6,8-dibromo-1H-3,1-benzoxazine-2,4-dione (PubChem CID 12785992) has the molecular formula C8H3Br2NO3 and a molecular weight of 320.92 g/mol. Its IUPAC name is 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6,8-dibromo-1H-3,1-benzoxazine-2,4-dione
PubChem CID12785992
Molecular FormulaC8H3Br2NO3
Molecular Weight320.92 g/mol
Exact Mass318.85
IUPAC Name6,8-dibromo-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(Br)cc(Br)cc2c(=O)o1
InChIInChI=1S/C8H3Br2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)
InChIKeyISBVTKNCSLRDBE-UHFFFAOYSA-N
XLogP2.01
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.92
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione (CID 12785992) is 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione is O=c1[nH]c2c(Br)cc(Br)cc2c(=O)o1.
What is the InChIKey of 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is ISBVTKNCSLRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13).
What are the key properties of 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione?
6,8-dibromo-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 320.92 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 12785992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).