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

C8H8BrNO — CID 18008960

IUPAC7-bromo-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyJLZUUGCTPRPFKZ-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.25
Rot. Bonds

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

7-bromo-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 18008960) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID18008960
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name7-bromo-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyJLZUUGCTPRPFKZ-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine (CID 18008960) is 7-bromo-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-bromo-3,4-dihydro-2H-1,4-benzoxazine is Brc1ccc2c(c1)OCCN2.
What is the InChIKey of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is JLZUUGCTPRPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2.
What are the key properties of 7-bromo-3,4-dihydro-2H-1,4-benzoxazine?
7-bromo-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 214.06 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 18008960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).