CAS
3507-17-3 Purity
96%
3507-17-3 Purity
96%
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Specification
The molecular formula is C15H10BrNO3.
The compound was created on July 8, 2005.
The InChIKey is PJDQCOBHWQSBSN-UHFFFAOYSA-N.
The Canonical SMILES representation is CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The molecular weight is 332.15 g/mol.
The compound has 1 hydrogen bond donor count.
The compound has 4 hydrogen bond acceptor counts.
The exact mass is 330.98441 g/mol.
The topological polar surface area is 63.3Ų.
Yes, the compound is canonicalized.