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

C8H4BrNO3 — CID 11521577

IUPAC7-bromo-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2cc(Br)ccc2c(=O)o1
InChIInChI=1S/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
InChIKeyPDGHWWQDMPEMKS-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.24
Rot. Bonds

About 7-bromo-1H-3,1-benzoxazine-2,4-dione

7-bromo-1H-3,1-benzoxazine-2,4-dione (PubChem CID 11521577) has the molecular formula C8H4BrNO3 and a molecular weight of 242.03 g/mol. Its IUPAC name is 7-bromo-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-bromo-1H-3,1-benzoxazine-2,4-dione
PubChem CID11521577
Molecular FormulaC8H4BrNO3
Molecular Weight242.03 g/mol
Exact Mass240.94
IUPAC Name7-bromo-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2cc(Br)ccc2c(=O)o1
InChIInChI=1S/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
InChIKeyPDGHWWQDMPEMKS-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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Related Compounds

Isatoic Anhydride
CID 8359
5-Bromoisatoic Anhydride
CID 288561
5-Fluoroisatoic anhydride
CID 288560
8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CID 2759870
5-Methylisatoic anhydride
CID 294478
4-Bromo-2-acetamidobenzoic acid
CID 14233596
5-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CID 10487522
5-bromo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CID 10752644
3-Bromoisatoic anhydride
CID 25419109
Methyl 2-{[3-(4-bromophenyl)acryloyl]amino}benzoate
CID 1222917
5-Aminoisatoic anhydride
CID 2735353
6-bromo-1-methyl-1H-benzo(d)(1,3)oxazine-2,4-dione
CID 17606583

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 7-bromo-1H-3,1-benzoxazine-2,4-dione (CID 11521577) is 7-bromo-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 7-bromo-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 7-bromo-1H-3,1-benzoxazine-2,4-dione is O=c1[nH]c2cc(Br)ccc2c(=O)o1.
What is the InChIKey of 7-bromo-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is PDGHWWQDMPEMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12).
What are the key properties of 7-bromo-1H-3,1-benzoxazine-2,4-dione?
7-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 7-bromo-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 11521577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).