6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione

C9H6ClNO4 — CID 86670580

IUPAC6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cc(Cl)cc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6ClNO4/c1-14-6-3-4(10)2-5-7(6)11-9(13)15-8(5)12/h2-3H,1H3,(H,11,13)
InChIKeyGASSUVYMTURYOF-UHFFFAOYSA-N
MW227.60 g/mol
LogP1.14
Rot. Bonds1

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

6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione (PubChem CID 86670580) has the molecular formula C9H6ClNO4 and a molecular weight of 227.60 g/mol. Its IUPAC name is 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione
PubChem CID86670580
Molecular FormulaC9H6ClNO4
Molecular Weight227.60 g/mol
Exact Mass227.00
IUPAC Name6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cc(Cl)cc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6ClNO4/c1-14-6-3-4(10)2-5-7(6)11-9(13)15-8(5)12/h2-3H,1H3,(H,11,13)
InChIKeyGASSUVYMTURYOF-UHFFFAOYSA-N
XLogP1.14
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.60
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione (CID 86670580) is 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione is COc1cc(Cl)cc2c(=O)oc(=O)[nH]c12.
What is the InChIKey of 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is GASSUVYMTURYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO4/c1-14-6-3-4(10)2-5-7(6)11-9(13)15-8(5)12/h2-3H,1H3,(H,11,13).
What are the key properties of 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 227.60 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 86670580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).