Mrv0541 02241204372D          

  6  5  0  0  0  0            999 V2000
    1.4924    0.4849    0.0000 F   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
    0.5701   -0.7846    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -0.4849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.7846    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1812

> <DATABASE_NAME>
t3db

> <SMILES>
F[Br](F)(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/BrF5/c2-1(3,4,5)6

> <INCHI_KEY>
XHVUVQAANZKEKF-UHFFFAOYSA-N

> <FORMULA>
BrF5

> <MOLECULAR_WEIGHT>
174.896

> <EXACT_MASS>
173.910353672

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.943652378644427

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentafluoro-λ⁵-bromane

> <JCHEM_LOGP>
1.9628771760000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
16.2417

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bromine pentafluoride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1812

> <NAME>
Bromine pentafluoride

> <CAS>
7789-30-2

> <SYNONYMS>
BrF5; Bromine fluoride

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

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