1,2-benzoxazepin-3-yl hypobromite

C9H6BrNO2 — CID 156633848

IUPAC1,2-benzoxazepin-3-yl hypobromite
SMILESBrOC1=NOc2ccccc2C=C1
InChIInChI=1S/C9H6BrNO2/c10-12-9-6-5-7-3-1-2-4-8(7)13-11-9/h1-6H
InChIKeyUFTVUXCSPCDHRY-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.73
Rot. Bonds

About 1,2-benzoxazepin-3-yl hypobromite

1,2-benzoxazepin-3-yl hypobromite (PubChem CID 156633848) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 1,2-benzoxazepin-3-yl hypobromite.

Molecular Properties

Compound Name1,2-benzoxazepin-3-yl hypobromite
PubChem CID156633848
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name1,2-benzoxazepin-3-yl hypobromite
SMILESBrOC1=NOc2ccccc2C=C1
InChIInChI=1S/C9H6BrNO2/c10-12-9-6-5-7-3-1-2-4-8(7)13-11-9/h1-6H
InChIKeyUFTVUXCSPCDHRY-UHFFFAOYSA-N
XLogP2.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-bromo-1,2-benzoxazepine-3-carboxylate
CID 68759162
(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
CID 87672269
2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,9,12,14,16-octaene
CID 175794563
1,2-benzoxazepine;but-2-enedioic acid
CID 70619135
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
N-phenyl-[1]benzoxepino[2,3-d]pyrimidin-4-amine
CID 102156090
2H-chromene;gold
CID 87399777
2H-chromene-2-thiol
CID 154323304
9-methyl-14-oxa-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 145449545
10-bromophenoxazine
CID 141423355
2H-1,2-benzoxazine;1H-pyrazole
CID 89454286

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazepin-3-yl hypobromite?
The IUPAC name of 1,2-benzoxazepin-3-yl hypobromite (CID 156633848) is 1,2-benzoxazepin-3-yl hypobromite.
What is the SMILES notation for 1,2-benzoxazepin-3-yl hypobromite?
The canonical SMILES for 1,2-benzoxazepin-3-yl hypobromite is BrOC1=NOc2ccccc2C=C1.
What is the InChIKey of 1,2-benzoxazepin-3-yl hypobromite?
The InChIKey is UFTVUXCSPCDHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-12-9-6-5-7-3-1-2-4-8(7)13-11-9/h1-6H.
What are the key properties of 1,2-benzoxazepin-3-yl hypobromite?
1,2-benzoxazepin-3-yl hypobromite has a molecular weight of 240.06 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazepin-3-yl hypobromite is sourced from PubChem (CID 156633848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).