CAS No.20829-96-3,5-CHLORO-3,1-BENZOXAZIN-2,4-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20829-96-3
Name:	5-CHLORO-3,1-BENZOXAZIN-2,4-DIONE
Article Data:	38

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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Specification

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