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CAS No.: | 941-91-3 |
---|---|
Name: | N-METHYL-3-BROMO-2(1H)-QUINOLINONE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H8BrNO |
Molecular Weight: | 238.084 |
Synonyms: | Carbostyril,3-bromo-1-methyl- (7CI,8CI);NSC 108475;3-bromo-1-methylquinolin-2(1H)-one;N-METHYL-3-BROMO-2(1H)-QUINOLINONE;3-Bromo-1-methylquinolin-2(1H)-one; |
Density: | 1.592 g/cm3 |
Melting Point: | 147-149 °C |
Boiling Point: | 299.5 °C at 760 mmHg |
Flash Point: | 134.9 °C |
PSA: | 22.00000 |
LogP: | 2.30100 |
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The 2(1H)-Quinolinone,3-bromo-1-methyl-, with the CAS registry number 941-91-3, has the systematic name of 3-bromo-1-methylquinolin-2(1H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H8BrNO.
The characteristics of 2(1H)-Quinolinone,3-bromo-1-methyl- are as followings: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 54.21 cm3; (9)Molar Volume: 149.4 cm3; (10)Polarizability: 21.49×10-24cm3; (11)Surface Tension: 51.7 dyne/cm; (12)Density: 1.592 g/cm3; (13)Flash Point: 134.9 °C; (14)nthalpy of Vaporization: 53.95 kJ/mol; (15)Boiling Point: 299.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00119 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br\C2=C\c1c(cccc1)N(C2=O)C
(2)InChI: InChI=1/C10H8BrNO/c1-12-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-6H,1H3
(3)InChIKey: FSLMLEUYCWVPBN-UHFFFAOYAS