AC1MDM3Y
2-amino-4-(5-bromofuran-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: NCGC00329748-01|BAS 00899059|AB00078830-01|AB00078830-03|2-amino-4-(5-bromofuran-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile|2-Amino-4-(5-bromofuran-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile|2-amino-4-(5-bromofuran-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-(5-bromo-2-furyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-(5-bromo(2-furyl))-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-ca rbonitrile
| Molecular Formula | C16H15BrN2O3 |
|---|---|
| Molecular Weight | 362.0266 g/mol |
| LogP | 3.49298 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.0266 |
| Monoisotopic Mass | 362.0266 |
| Heavy Atoms | 22 |
| Complexity | 764.599 |
Chemical Identifiers
| CAS Number | 77151-47-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)Br)C(=O)C1)C |
Product Overview
AC1MDM3Y (CAS 77151-47-4), with molecular formula C16H15BrN2O3 and molecular weight 362.0266 g/mol. IUPAC: 2-amino-4-(5-bromofuran-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.