8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

C8H8BrCl2NO — CID 74889864

IUPAC8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCl.Clc1cc(Br)c2c(c1)NCCO2
InChIInChI=1S/C8H7BrClNO.ClH/c9-6-3-5(10)4-7-8(6)12-2-1-11-7;/h3-4,11H,1-2H2;1H
InChIKeyXVTZJIQRUMCLKF-UHFFFAOYSA-N
MW284.97 g/mol
LogP3.33
Rot. Bonds

About 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (PubChem CID 74889864) has the molecular formula C8H8BrCl2NO and a molecular weight of 284.97 g/mol. Its IUPAC name is 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.

Molecular Properties

Compound Name8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
PubChem CID74889864
Molecular FormulaC8H8BrCl2NO
Molecular Weight284.97 g/mol
Exact Mass282.92
IUPAC Name8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCl.Clc1cc(Br)c2c(c1)NCCO2
InChIInChI=1S/C8H7BrClNO.ClH/c9-6-3-5(10)4-7-8(6)12-2-1-11-7;/h3-4,11H,1-2H2;1H
InChIKeyXVTZJIQRUMCLKF-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.97
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The IUPAC name of 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (CID 74889864) is 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.
What is the SMILES notation for 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The canonical SMILES for 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is Cl.Clc1cc(Br)c2c(c1)NCCO2.
What is the InChIKey of 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The InChIKey is XVTZJIQRUMCLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO.ClH/c9-6-3-5(10)4-7-8(6)12-2-1-11-7;/h3-4,11H,1-2H2;1H.
What are the key properties of 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride has a molecular weight of 284.97 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is sourced from PubChem (CID 74889864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).