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CAS No.: | 20829-96-3 |
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Name: | 5-CHLORO-3,1-BENZOXAZIN-2,4-DIONE |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C8H4ClNO3 |
Molecular Weight: | 197.578 |
Synonyms: | 5-Chloro-3,1-benzoxazin-2,4-dione;5-Chloro-1h-benzo[d][1,3]oxazine-2,4-dione; |
Density: | 1.54 g/cm3 |
Melting Point: | 272.5-272.9 °C |
PSA: | 63.33000 |
LogP: | 1.54700 |
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The CAS register number of 2H-3,1-Benzoxazine-2,4(1H)-dione, 5-chloro- is 20829-96-3. It also can be called as 5-Chloro-1h-benzo[d][1,3]oxazine-2,4-dione and the systematic name about this chemical is 5-chloro-2H-3,1-benzoxazine-2,4(1H)-dione. The molecular formula about this chemical is C8H4ClNO3 and the molecular weight is 197.57526.
Physical properties about 2H-3,1-Benzoxazine-2,4(1H)-dione, 5-chloro- are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.12; (5)ACD/BCF (pH 7.4): 8.11; (6)ACD/KOC (pH 5.5): 155.9; (7)ACD/KOC (pH 7.4): 155.69; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 43.92 cm3; (13)Molar Volume: 128.2 cm3; (14)Polarizability: 17.41x10-24cm3; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.54 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1c2C(=O)OC(=O)N1
(2)InChI: InChI=1/C8H4ClNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)
(3)InChIKey: NIGOFAVNIBBNJV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H4ClNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)
(5)Std. InChIKey: NIGOFAVNIBBNJV-UHFFFAOYSA-N