Specification: |
The 4-Bromoisatoic anhydride, its cas register number is 76561-16-5. It also can be called as 7-Bromo-2H-3,1-benzoxazine-2,4(1H)-dione and the Systematic name about this chemicals is 7-bromo-2H-3,1-benzoxazine-2,4(1H)-dione.
Following are the chemical properties about 4-Bromoisatoic anhydride: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 55.4Å2; (5)Index of Refraction: 1.623; (6)Molar Refractivity: 46.72 cm3; (7)Molar Volume: 132.519 cm3; (8)Polarizability: 18.521x10-24cm3; (9)Surface Tension: 55.957 dyne/cm
This chemical can be described computed from structure:
(1)SMILES: Brc1ccc2C(=O)OC(=O)Nc2c1
(2)InChI: InChI=1/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
(3)InChIKey: PDGHWWQDMPEMKS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
(5)Std. InChIKey: PDGHWWQDMPEMKS-UHFFFAOYSA-N
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