Ethanone,2-azido-1-(1,3-benzodioxol-5-yl)- (102831-07-2)

The 2-Azido-1-(1,3-benzodioxol-5-yl)ethanone with the CAS number 102831-07-2 is also called Ethanone,2-azido-1-(1,3-benzodioxol-5-yl)-. Its molecular formula is C₉H₇N₃O₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Azido-1-(1,3-benzodioxol-5-yl)ethanone are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.36; (6)ACD/BCF (pH 7.4): 13.36; (7)ACD/KOC (pH 5.5): 222.56; (8)ACD/KOC (pH 7.4): 222.56; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.89 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1C(=O)CN=[N+]=[N-])OCO2
(2)InChI: InChI=1/C9H7N3O3/c10-12-11-4-7(13)6-1-2-8-9(3-6)15-5-14-8/h1-3H,4-5H2
(3)InChIKey: NPLWBZVJJQJISJ-UHFFFAOYAR