3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile

Chemical Properties

Density	1.59 at 20℃
vapor pressure	0Pa at 25℃
storage temp.	2-8°C
form	Solid:crystalline
Appearance	White to off-white Solid
Crystal Structure	Tetragonal, P42bc
Lattice constant	a = 17.552 (3) Å, b = 17.552 (3) Å, c = 7.4870 (15) Å, V = 2306.5 (7) Å3, Z = 8
InChI	InChI=1S/C11H12BrNO2/c1-14-10-6-8(4-3-5-13)9(12)7-11(10)15-2/h6-7H,3-4H2,1-2H3
InChIKey	PKRKQYZQPMFUJG-UHFFFAOYSA-N
SMILES	C1(CCC#N)=CC(OC)=C(OC)C=C1Br
LogP	1.98 at 30℃ and pH7

HS Code

2926907090

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