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Bornyl chloride

PubChem CID: 10048

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Compound Synonyms endo-2-Chlorobornane, Bornyl chloride, 6120-13-4, 2-Chloro-1,7,7-trimethylbicyclo[2.2.1]heptane, 464-41-5, Bornylchlorid, Isobornyl chloride, NSC243650, Bornane, 2-chloro-, exo-, 3-chloro-4,7,7-trimethylbicyclo[2.2.1]heptane, Bicyclo[2.2.1]heptane, 2-chloro-1,7,7-trimethyl-, endo-, SCHEMBL457759, XXZAOMJCZBZKPV-UHFFFAOYSA-N, BCP32503, AKOS037645122, NSC-243650, AS-57278, PD162882, 2-Chloro-1,7,7-trimethylbicyclo[2.2.1]heptane #, Bornyl chloride, 2-Chlorocamphane, Turpentine camphor, Bicyclo[2.2.1]heptane, 2-chloro-1,7,7-trimethyl-, exo-
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 0.0
Iupac Name 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-UHFFFAOYSA-N
Fcsp3 1.0
Logs -4.994
Rotatable Bond Count 0.0
Logd 4.245
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
Smiles CC1(C2CCC1(C(C2)Cl)C)C
Nring 2.0
Defined Bond Stereocenter Count 0.0

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