BRN 4518548
2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid
| Molecular Formula | C16H12BrNO3 |
|---|---|
| Molecular Weight | 346.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.00006 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 86818-27-1 |
|---|---|
| SMILES | C1C(=NC2=C(O1)C=CC(=C2)CC(=O)O)C3=CC=C(C=C3)Br |
| InChIKey | HEYXZIDKZTWGGT-UHFFFAOYSA-N |
📖 Product Overview
BRN 4518548 (CAS: 86818-27-1) is a chemical compound with molecular formula C16H12BrNO3 and molecular weight 346.17 g/mol. Its IUPAC systematic name is 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid.
HEYXZIDKZTWGGT-UHFFFAOYSA-N.
SMILES: C1C(=NC2=C(O1)C=CC(=C2)CC(=O)O)C3=CC=C(C=C3)Br.
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