Molecular structure of 6-Bromo-2-methyl-4H-3,1-benzoxazin-4-one (CAS NO.19165-25-4) is:
Product Name: 6-Bromo-2-methyl-4H-3,1-benzoxazin-4-one
CAS Registry Number: 19165-25-4
IUPAC Name: 6-Bromo-2-methyl-3,1-benzoxazin-4-one
Molecular Weight: 240.05344 [g/mol]
Molecular Formula: C9H6BrNO2
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 3
Sensitive: Air Sensitive
Index of Refraction: 1.655
Molar Refractivity: 51.58 cm3
Molar Volume: 140.5 cm3
Surface Tension: 49.5 dyne/cm
Density: 1.7 g/cm3
Flash Point: 166.7 °C
Enthalpy of Vaporization: 59.68 kJ/mol
Boiling Point: 352 °C at 760 mmHg
Vapour Pressure: 3.96E-05 mmHg at 25 °C
Canonical SMILES: CC1=NC2=C(C=C(C=C2)Br)C(=O)O1
InChI: InChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
InChIKey: JCRULBKTDUOWMP-UHFFFAOYSA-N
6-Bromo-2-methyl-4H-3,1-benzoxazin-4-one , its cas register number is 19165-25-4. It also can be called 6-Bromo-2-methyl-4H-benzo[d][1,3]oxazin-4-one ; 4H-3,1-Benzoxazin-4-one,6-bromo-2-methyl- .
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