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3023-92-5

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Basic Information
CAS No.: 3023-92-5
Name: TRICYCLOHEXYLTIN BROMIDE
Molecular Structure:
Molecular Structure of 3023-92-5 (TRICYCLOHEXYLTIN BROMIDE)
Formula: C18H33BrSn
Molecular Weight: 448.074
Synonyms: TRICYCLOHEXYLTIN BROMIDE;Bromotricyclohexyltin;Tricyclohexyltin bromide, 95+%;bromo(tricyclohexyl)stannane
Melting Point: 77 °C
Boiling Point: 420.4 °C at 760 mmHg
Flash Point: 208 °C
PSA: 0.00000
LogP: 7.32970
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Specification

The Stannane,bromotricyclohexyl-, with the CAS registry number 3023-92-5, is also known as NSC99049. This chemical's molecular formula is C18H33BrSn and molecular weight is 448.07. Its IUPAC name is called bromo(tricyclohexyl)stannane.

Physical properties of Stannane,bromotricyclohexyl-: (1)ACD/LogP: 6.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.47; (4)ACD/LogD (pH 7.4): 6.47; (5)ACD/BCF (pH 5.5): 48375.14; (6)ACD/BCF (pH 7.4): 48375.14; (7)ACD/KOC (pH 5.5): 78493.73; (8)ACD/KOC (pH 7.4): 78493.73; (9)#Freely Rotating Bonds: 3; (10)Flash Point: 208 °C; (11)Enthalpy of Vaporization: 64.81 kJ/mol; (12)Boiling Point: 420.4 °C at 760 mmHg; (13)Vapour Pressure: 6.91E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)Br
(2)InChI: InChI=1S/3C6H11.BrH.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1
(3)InChIKey: NCOPORRSZBVXCU-UHFFFAOYSA-M