Basic information
- Name:
1(2H)-Isoquinolinone,6-bromo-
- Superlist Name:
- 6-Bromo-2H-isoquinolin-1-one
- CAS No.:
82827-09-6
- Molecular Structure:
- Formula:
- C9H6 Br N O
- 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
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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- .
