A1AX6
Summary
| Name: | 5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one |
| Formula: | C10 H10 Br N O |
| Formal charge: | 0 |
| Formula weight: | 240.096 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-3,3-dimethyl-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc2c(cc1)NC(=O)C2(C)C |
| InChI | InChI | 1.06 | InChI=1S/C10H10BrNO/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.06 | YCHSJOIHTKPUCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C(=O)Nc2ccc(Br)cc12 |
| SMILES | CACTVS | 3.385 | CC1(C)C(=O)Nc2ccc(Br)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2cc(ccc2NC1=O)Br)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2cc(ccc2NC1=O)Br)C |
