Mrv0541 02241204362D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.2411    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
T3D1718

> <DATABASE_NAME>
t3db

> <SMILES>
[Na+].[O-][Br](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1

> <INCHI_KEY>
XUXNAKZDHHEHPC-UHFFFAOYSA-M

> <FORMULA>
BrNaO3

> <MOLECULAR_WEIGHT>
150.892

> <EXACT_MASS>
149.892851188

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.753740264052536

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium bromate

> <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>
57.199999999999996

> <JCHEM_REFRACTIVITY>
13.0639

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium bromate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1718

> <NAME>
Sodium bromate

> <CAS>
7789-38-0

> <SYNONYMS>
Bromate de sodium; Bromic acid (acd/name 4.0); Bromic acid, sodium salt; Dyetone; NaBrO3; Neutralizer K-126; Neutralizer K-140; Neutralizer K-938; Sodium bromate (NaBrO3); Sodium bromate(dot); Sodium bromic acid; Water disinfection model (sodium bromate)

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

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