6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine

C9H9Cl2NO — CID 82230773

IUPAC6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C9H9Cl2NO/c1-12-2-3-13-9-7(11)4-6(10)5-8(9)12/h4-5H,2-3H2,1H3
InChIKeyJEMKVQWRFHRKMO-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.82
Rot. Bonds

About 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine

6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 82230773) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID82230773
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C9H9Cl2NO/c1-12-2-3-13-9-7(11)4-6(10)5-8(9)12/h4-5H,2-3H2,1H3
InChIKeyJEMKVQWRFHRKMO-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 82230773) is 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine is CN1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is JEMKVQWRFHRKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-12-2-3-13-9-7(11)4-6(10)5-8(9)12/h4-5H,2-3H2,1H3.
What are the key properties of 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine?
6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 218.08 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 82230773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).