CAS
31169-25-2 Purity
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31169-25-2 Purity
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The molecular formula is C10H7Br3N2.
The molecular weight is 394.89 g/mol.
The IUPAC name is 1-benzyl-2,4,5-tribromoimidazole.
The InChI is InChI=1S/C10H7Br3N2/c11-8-9(12)15(10(13)14-8)6-7-4-2-1-3-5-7/h1-5H,6H2.
The InChIKey is DPVXZXBHQWNJDP-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)CN2C(=C(N=C2Br)Br)Br.
The CAS number is 31250-80-3.
The XLogP3-AA value is 4.7.
Yes, it is a canonicalized compound.