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CAS No.: | 139354-76-0 |
---|---|
Name: | pentadecahydrate |
Molecular Structure: | |
Formula: | B2H30O17Zn2 |
Molecular Weight: | 454.668 |
Synonyms: | Zinc borate;Firebrake ZB;EPA Pesticide Chemical Code 128859;Boron zinc oxide (B6Zn2O11), hydrate (2:15); |
Boiling Point: | 100 °C at 760 mmHg |
Empirical Formula: H30B2O17Zn2
Molecular Weight: 454.668
ACD/LogP: -1.38
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -1.38
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 9.23Å2
Enthalpy of Vaporization: 40.65 kJ/mol
Boiling Point: 100 °C at 760 mmHg
Vapour Pressure: 24.5 mmHg at 25°C
SMILES: [Zn+2].[Zn+2].[O-2].[O-2].B.B.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
InChI: InChI=1/2B.15H2O.2O.2Zn/h;;15*1H2;;;;/q;;;;;;;;;;;;;;;;;2*-2;2*+2
InChIKey: DSNJRURNQLXBCU-UHFFFAOYAQ
Std. InChI: InChI=1S/2B.15H2O.2O.2Zn/h;;15*1H2;;;;/q;;;;;;;;;;;;;;;;;2*-2;2*+2
Std. InChIKey: DSNJRURNQLXBCU-UHFFFAOYSA-N
Boric acid (H4B6O11), zinc salt (1:2), hydrate , with CAS number of 495-84-1, can be called Boron zinc oxide (B6Zn2O11), hydrate (2:15) ; Firebrake ZB .