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CAS No.: | 73148-15-9 |
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Name: | 6,7-dichloro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H6Cl2N2O |
Molecular Weight: | 229.065 |
Synonyms: | 2(1H)-quinoxalinone, 6,7-dichloro-3,4-dihydro-3-methyl-;6,7-Dichlor-3-methyl-3,4-dihydrochinoxalin-2(1H)-on;LogP |
Density: | 1.581 g/cm3 |
Boiling Point: | 399°C at 760 mmHg |
Flash Point: | 195.1°C |
PSA: | 41.13000 |
LogP: | 3.02190 |
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This chemical is called 2(1H)-Quinoxalinone, 6,7-dichloro-3-methyl-, and its systematic name is 6,7-dichloro-3-methylquinoxalin-2(1H)-one. With the molecular formula of C9H6Cl2N2O, its molecular weight is 229.0627. The CAS registry number of this chemical is 73148-15-9.
Other characteristics of the 2(1H)-Quinoxalinone, 6,7-dichloro-3-methyl- can be summarised as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 28; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 373; (8)ACD/KOC (pH 7.4): 143; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 54.897 cm3; (15)Molar Volume: 144.89 cm3; (16)Polarizability: 21.763×10-24cm3; (17)Surface Tension: 51.219 dyne/cm; (18)Density: 1.581 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc2NC(=O)C(/C)=N\c2cc1Cl
2.InChI: InChI=1/C9H6Cl2N2O/c1-4-9(14)13-8-3-6(11)5(10)2-7(8)12-4/h2-3H,1H3,(H,13,14)
3.InChIKey: ZBIPLAACWXHSAK-UHFFFAOYAR