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864262-97-5

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Basic Information
CAS No.: 864262-97-5
Name: TERT-BUTYL 4-BROMO-2-FLUOROBENZYLCARBAMATE
Article Data: 13
Molecular Structure:
Molecular Structure of 864262-97-5 (TERT-BUTYL 4-BROMO-2-FLUOROBENZYLCARBAMATE)
Formula: C12H15BrFNO2
Molecular Weight: 304.159
Synonyms: tert-Butyl N-[(4-bromo-2-fluoro-phenyl)methyl]carbamate;
Density: 1.376 g/cm3
Boiling Point: 371.3 °C at 760 mmHg
Flash Point: 178.3 °C
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  • Carbamic acid,[(4-bromo-2-fluorophenyl)methyl]-, 1,1-dimethylethyl ester (9CI)

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    864262-97-5

    Carbamic acid,[(4-bromo-2-fluorophenyl)methyl]-, 1,1-dimethylethyl ester (9CI)

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  • TERT-BUTYL 4-BROMO-2-FLUOROBENZYLCARBAMATE

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    864262-97-5

    TERT-BUTYL 4-BROMO-2-FLUOROBENZYLCARBAMATE

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Specification

The Carbamic acid,[(4-bromo-2-fluorophenyl)methyl]-, 1,1-dimethylethyl ester (9CI), with the CAS registry number 864262-97-5, is also known as tert-Butyl 4-bromo-2-fluorobenzylcarbamate. This chemical's molecular formula is C12H15BrFNO2 and molecular weight is 304.1554032. What's more, its systematic name is called tert-Butyl N-[(4-bromo-2-fluoro-phenyl)methyl]carbamate.

Physical properties about Carbamic acid,[(4-bromo-2-fluorophenyl)methyl]-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 385.73; (6)ACD/BCF (pH 7.4): 385.71; (7)ACD/KOC (pH 5.5): 2470.98; (8)ACD/KOC (pH 7.4): 2470.84; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 67.35 cm3; (15)Molar Volume: 221 cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.376 g/cm3; (18)Flash Point: 178.3 °C; (19)Enthalpy of Vaporization: 61.83 kJ/mol; (20)Boiling Point: 371.3 °C at 760 mmHg; (21) Vapour Pressure: 1.04E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)NCc1ccc(cc1F)Br
(2) InChI: InChI=1/C12H15BrFNO2/c1-12(2,3)17-11(16)15-7-8-4-5-9(13)6-10(8)14/h4-6H,7H2,1-3H3,(H,15,16)
(3) InChIKey: DTYUGOHKMHFOMT-UHFFFAOYAL