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883001-24-9

Basic Information
CAS No.: 883001-24-9
Name: 7-Bromo-5-fluoro-3-methyl-1H-indole
Article Data: 8
Molecular Structure:
Molecular Structure of 883001-24-9 (7-Bromo-5-fluoro-3-methyl-1H-indole)
Formula: C9H7BrFN
Molecular Weight: 228.064
Synonyms: 7-Bromo-5-fluoro-3-methylindole
Density: 1.646 g/cm3
Boiling Point: 323.788 °C at 760 mmHg
Flash Point: 149.622 °C
PSA: 15.79000
LogP: 3.37790
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Specification

The 7-Bromo-5-fluoro-3-methyl-1H-indole, with CAS registry number 883001-24-9, has the systematic name of 7-bromo-5-fluoro-3-methyl-1H-indole. Besides this, it is also called 7-Bromo-5-fluoro-3-methylindole. And the chemical formula of this chemical is C9H7BrFN.

Physical properties of 7-Bromo-5-fluoro-3-methyl-1H-indole: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.157; (4)ACD/LogD (pH 7.4): 3.157; (5)ACD/BCF (pH 5.5): 147.597; (6)ACD/BCF (pH 7.4): 147.597; (7)ACD/KOC (pH 5.5): 1242.324; (8)ACD/KOC (pH 7.4): 1242.324; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 51.037 cm3; (15)Molar Volume: 138.541 cm3; (16)Polarizability: 20.233×10-24cm3; (17)Surface Tension: 48.696 dyne/cm; (18)Enthalpy of Vaporization: 54.326 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c[nH]c2c1cc(cc2Br)F
(2)InChI: InChI=1/C9H7BrFN/c1-5-4-12-9-7(5)2-6(11)3-8(9)10/h2-4,12H,1H3
(3)InChIKey: RIPHXXHZNPGTMV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7BrFN/c1-5-4-12-9-7(5)2-6(11)3-8(9)10/h2-4,12H,1H3
(5)Std. InChIKey: RIPHXXHZNPGTMV-UHFFFAOYSA-N