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1162262-43-2

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Basic Information
CAS No.: 1162262-43-2
Name: 6-Bromo-3,4-dihydroisochromen-1-one
Article Data: 12
Molecular Structure:
Molecular Structure of 1162262-43-2 (6-Bromo-3,4-dihydroisochromen-1-one)
Formula: C9H7BrO2
Molecular Weight: 227.057
Synonyms: 6- Romoisochroman-1-one;
Density: 1.622 g/cm3
Melting Point: 63-65 °C
Boiling Point: 389.142 °C at 760 mmH
Flash Point: 189.146 °C
PSA: 26.30000
LogP: 2.16200
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Specification

The CAS registry number of 6-Bromo-3,4-dihydroisochromen-1-one is 1162262-43-2. In addition, its molecular formula is C9H7BrO2 and molecular weight is 227.0547. Its systematic name is called 6- Romoisochroman-1-one.

Physical properties about 6-Bromo-3,4-dihydroisochromen-1-one are: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.639; (4)ACD/LogD (pH 7.4): 2.639; (5)ACD/BCF (pH 5.5): 59.686; (6)ACD/BCF (pH 7.4): 59.686; (7)ACD/KOC (pH 5.5): 649.806; (8)ACD/KOC (pH 7.4): 649.806; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 47.853 cm3; (12)Molar Volume: 139.988 cm3; (13)Surface Tension: 48.324 dyne/cm; (14)Density: 1.622 g/cm3; (15)Flash Point: 189.146 °C; (16)Enthalpy of Vaporization: 63.844 kJ/mol; (17)Boiling Point: 389.142 °C at 760 mmH.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)CCOC2=O
(2)InChI: InChI=1/C9H7BrO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5H,3-4H2
(3)InChIKey: UPAPBCUWEGCRAG-UHFFFAOYAV