Molecular Structure of 5-Chloro-1-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione (CAS NO.40707-01-5):
Systematic Name: 5-Chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione
SMILES: Clc2cccc1c2C(=O)OC(=O)N1C
InChI: InChI=1/C9H6ClNO3/c1-11-6-4-2-3-5(10)7(6)8(12)14-9(11)13/h2-4H,1H3
InChIKey: BTNWNXWHFWYONH-UHFFFAOYAE
Empirical Formula: C9H6ClNO3
Molecular Weight: 211.6018
Nominal Mass: 211
Average Mass: 211.6018
Monoisotopic Mass: 211.003621
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 0
Index of Refraction: 1.597
Molar Refractivity: 48.85 cm3
Molar Volume: 143.3 cm3
Surface Tension: 52.9 dyne/cm
Density: 1.476 g/cm3
Flash Point: 162.3 °C
Enthalpy of Vaporization: 58.88 kJ/mol
Boiling Point: 344.8 °C at 760 mmHg
Vapour Pressure: 6.42E-05 mmHg at 25 °C
5-Chloro-1-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione (CAS NO.40707-01-5), its Synonyms are 2H-3,1-Benzoxazine-2,4(1H)-dione,5-chloro-1-methyl- ; 5-Chloro-N-methylisatoic anhydrazide .
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