98554-17-7 Purity
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Specification
The molecular formula of Chembrdg-bb 6625984 is C7H4BrNO4.
Chembrdg-bb 6625984 was created on 2005-07-11 and modified on 2023-12-30.
The IUPAC name of Chembrdg-bb 6625984 is 3-bromo-4-hydroxy-5-nitrobenzaldehyde.
The InChI of Chembrdg-bb 6625984 is InChI=1S/C7H4BrNO4/c8-5-1-4(3-10)2-6(7(5)11)9(12)13/h1-3,11H.
The InChIKey of Chembrdg-bb 6625984 is QBGJRIICMHIJJR-UHFFFAOYSA-N.
The Canonical SMILES of Chembrdg-bb 6625984 is C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)C=O.
The molecular weight of Chembrdg-bb 6625984 is 246.01 g/mol.
There is 1 hydrogen bond donor count in Chembrdg-bb 6625984.
The exact mass of Chembrdg-bb 6625984 is 244.93237 g/mol.
Yes, the compound is canonicalized in Chembrdg-bb 6625984.