Mrv0541 02241204132D          

  4  3  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
    0.8250    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  2  4  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1715

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)

> <INCHI_KEY>
SXDBWCPKPHAZSM-UHFFFAOYSA-N

> <FORMULA>
BrHO3

> <MOLECULAR_WEIGHT>
128.91

> <EXACT_MASS>
127.910906545

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
6.116159813860019

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bromic acid

> <JCHEM_LOGP>
0.19101495400000004

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-29.82074684950307

> <JCHEM_POLAR_SURFACE_AREA>
54.37

> <JCHEM_REFRACTIVITY>
14.1856

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bromic acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1715

> <NAME>
Bromic acid

> <CAS>
7789-31-3

> <SYNONYMS>
Bromate; Bromsaeure; HBrO3; Hydroxidodioxidobromine; [BrO2(OH)]

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

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