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175136-09-1
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Basic Information
CAS No.: 175136-09-1
Name: 5-BROMO-4-METHOXY-7-METHYLINDANE
Molecular Structure:
Molecular Structure of 175136-09-1 (5-BROMO-4-METHOXY-7-METHYLINDANE)
Formula: C11H13BrO
Molecular Weight: 241.12
Synonyms: 5-BROMO-4-METHOXY-7-METHYLINDANE
Density: 1.377 g/cm3
Melting Point: 30℃
Boiling Point: 311 °C at 760 mmHg
Flash Point: 130.2 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 9.23000
LogP: 3.25480
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Specification

This chemical is called 1H-Indene, 5-bromo-2,3-dihydro-4-methoxy-7-methyl-, and its systematic name is 5-bromo-4-methoxy-7-methyl-2,3-dihydro-1H-indene. With the molecular formula of C11H13BrO, its molecular weight is 241.12. The CAS registry number of this chemical is 175136-09-1.

Other characteristics of the 1H-Indene, 5-bromo-2,3-dihydro-4-methoxy-7-methyl- can be summarised as followings: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1066.5; (6)ACD/BCF (pH 7.4): 1066.5; (7)ACD/KOC (pH 5.5): 5116.98; (8)ACD/KOC (pH 7.4): 5116.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 57.62 cm3; (15)Molar Volume: 174.9 cm3; (16)Polarizability: 22.84×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.377 g/cm3; (19)Flash Point: 130.2 °C; (20)Enthalpy of Vaporization: 52.99 kJ/mol; (21)Boiling Point: 311 °C at 760 mmHg; (22)Vapour Pressure: 0.00106 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1cc(c2c(c1OC)CCC2)C
2.InChI: InChI=1/C11H13BrO/c1-7-6-10(12)11(13-2)9-5-3-4-8(7)9/h6H,3-5H2,1-2H3
3.InChIKey: IKBZAUYPBWFMDI-UHFFFAOYAP