Mrv0541 02241205262D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  RAD  1   1   2
M  END
> <DATABASE_ID>
T3D1810

> <DATABASE_NAME>
t3db

> <SMILES>
[O][Br]=O

> <INCHI_IDENTIFIER>
InChI=1S/BrO2/c2-1-3

> <INCHI_KEY>
SISAYUDTHCIGLM-UHFFFAOYSA-N

> <FORMULA>
BrO2

> <MOLECULAR_WEIGHT>
111.903

> <EXACT_MASS>
110.908166891

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
5.070379033525608

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bromosyloxidanyl

> <JCHEM_LOGP>
0.41461616100000004

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
11.621

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bromosyloxidanyl

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1810

> <NAME>
Bromine dioxide

> <CAS>
21255-83-4

> <SYNONYMS>
(obro)(.); BrO2(.); Dioxidobromine(.); OBrO

> <TYPES>
Inorganic Compound; Non-Metal; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound

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