Bornyl chloride, (-)-
PubChem CID: 12300205
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| Compound Synonyms | (-)-Bornyl chloride, Bornyl chloride, (-)-, Bornane, 2-chloro-, endo-(-)-, UNII-5NUA53V7U0, 2-Endo-bornyl chloride, endo-(-)-, 5NUA53V7U0, 33602-15-2, Bicyclo(2.2.1)heptane, 2-chloro-1,7,7-trimethyl-, (1S,2R,4S)-, Pinenhydrochlorid, SCHEMBL16691957, XXZAOMJCZBZKPV-QXFUBDJGSA-N, NS00043637, Q27262606 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2R,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C10H17Cl |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXZAOMJCZBZKPV-QXFUBDJGSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.368 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.958 |
| Compound Name | Bornyl chloride, (-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.102 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.102 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 172.69 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4307337999999996 |
| Inchi | InChI=1S/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m0/s1 |
| Smiles | C[C@]12CC[C@H](C1(C)C)C[C@H]2Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients