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Basic Information
CAS No.: 82827-09-6
Name: 6-BROMO-2H-ISOQUINOLIN-1-ONE
Molecular Structure:
Molecular Structure of 82827-09-6 (6-BROMO-2H-ISOQUINOLIN-1-ONE)
Formula: C9H6 Br N O
Molecular Weight: 224.057
Synonyms: 6-Bromo-2H-isoquinolin-1-one;6-Bromoisoquinolin-1-one
Density: 1.62 g/cm3
Boiling Point: 442.634 °C at 760 mmHg
Flash Point: 221.498 °C
PSA: 32.86000
LogP: 2.29060
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    82827-09-6

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    82827-09-6

    6-bromo-1,2-dihydroisoquinolin-1-one

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Chemistry

Empirical Formula of 6-Bromo-2H-isoquinolin-1-one (CAS NO.82827-09-6): C9H6BrNO
Molecular Weight: 224.054
Nominal Mass: 223 Da
Average Mass: 224.054 Da
Monoisotopic Mass: 222.963269 Da 
Index of Refraction: 1.63
Molar Refractivity: 49.2 cm3
Molar Volume: 138.272 cm3
Surface Tension: 48.348 dyne/cm
Density: 1.62 g/cm3
Flash Point: 221.498 °C
Enthalpy of Vaporization: 70.014 kJ/mol
Boiling Point: 442.634 °C at 760 mmHg
Structure of 6-Bromo-2H-isoquinolin-1-one (CAS NO.82827-09-6):
                      
Systematic Name: 6-Bromoisoquinolin-1(2H)-one
SMILES: Brc2ccc1c(\C=C/NC1=O)c2 
InChI: InChI=1/C9H6BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12) 
InChIKey: ZDYXSEQHOVSTPA-UHFFFAOYAK
Std. InChI: InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12) 
Std. InChIKey: ZDYXSEQHOVSTPA-UHFFFAOYSA-N

Specification

 6-Bromo-2H-isoquinolin-1-one (CAS NO.82827-09-6) also can be called 6-Bromoisoquinolin-1(2H)-one ; and 1(2H)-Isoquinolinone, 6-bromo- .