82S
Summary
| Name: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane |
| Formula: | C10 H17 Br |
| Formal charge: | 0 |
| Formula weight: | 217.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{R},4~{R})-2-bromanyl-1,7,7-trimethyl-bicyclo[2.2.1]heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C2(CCC(C1)C2(C)C)C)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H17Br/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | OTOQMOVZIUGCQE-MRTMQBJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Br)C2 |
| SMILES | CACTVS | 3.385 | CC1(C)[CH]2CC[C]1(C)[CH](Br)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C2CCC1(C(C2)Br)C)C |
