8-bromo-1H-3,1-benzoxazine-2,4-dione

C8H4BrNO3 — CID 25419109

IUPAC8-bromo-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(Br)cccc2c(=O)o1
InChIInChI=1S/C8H4BrNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
InChIKeyYRJWMRDVBYWGKK-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.24
Rot. Bonds

About 8-bromo-1H-3,1-benzoxazine-2,4-dione

8-bromo-1H-3,1-benzoxazine-2,4-dione (PubChem CID 25419109) has the molecular formula C8H4BrNO3 and a molecular weight of 242.03 g/mol. Its IUPAC name is 8-bromo-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-bromo-1H-3,1-benzoxazine-2,4-dione
PubChem CID25419109
Molecular FormulaC8H4BrNO3
Molecular Weight242.03 g/mol
Exact Mass240.94
IUPAC Name8-bromo-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(Br)cccc2c(=O)o1
InChIInChI=1S/C8H4BrNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
InChIKeyYRJWMRDVBYWGKK-UHFFFAOYSA-N
XLogP1.24
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-bromo-1H-3,1-benzoxazine-2,4-dione (CID 25419109) is 8-bromo-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-bromo-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-bromo-1H-3,1-benzoxazine-2,4-dione is O=c1[nH]c2c(Br)cccc2c(=O)o1.
What is the InChIKey of 8-bromo-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is YRJWMRDVBYWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12).
What are the key properties of 8-bromo-1H-3,1-benzoxazine-2,4-dione?
8-bromo-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 242.03 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 25419109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).