915920-77-3 Purity
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Specification
The molecular formula of Chembrdg-bb 9071271 is C10H7FN2O.
The molecular weight of Chembrdg-bb 9071271 is 190.17 g/mol.
The IUPAC name of Chembrdg-bb 9071271 is (4-fluorophenyl)-(1H-imidazol-2-yl)methanone.
The InChI of Chembrdg-bb 9071271 is InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)9(14)10-12-5-6-13-10/h1-6H,(H,12,13).
The InChIKey of Chembrdg-bb 9071271 is MWVQQKGPQOZKKK-UHFFFAOYSA-N.
The canonical SMILES of Chembrdg-bb 9071271 is C1=CC(=CC=C1C(=O)C2=NC=CN2)F.
The XLogP3-AA value of Chembrdg-bb 9071271 is 1.8.
Chembrdg-bb 9071271 has 1 hydrogen bond donor count.
The topological polar surface area of Chembrdg-bb 9071271 is 45.8 Ų.
Yes, Chembrdg-bb 9071271 is a canonicalized compound.