Cas no 119718-96-6 (Octahydro-3aH-4,7-methanoindene-3a-carbonyl chloride)
119718-96-6 structure
Product Name:Octahydro-3aH-4,7-methanoindene-3a-carbonyl chloride
CAS No:119718-96-6
MF:C11H15ClO
MW:198.689202547073
CID:133113
PubChem ID:13375982
Update Time:2024-02-28
Octahydro-3aH-4,7-methanoindene-3a-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 4,7-Methano-3aH-indene-3a-carbonylchloride, octahydro-
- 4,7-Methanoindan-3a(4H)-carbonyl chloride, tetrahydro- (6CI)
- Octahydro-3aH-4,7-methanoindene-3a-carbonyl chloride
-
- Inchi： 1S/C11H15ClO/c12-10(13)11-5-1-2-9(11)7-3-4-8(11)6-7/h7-9H,1-6H2
- InChI Key： FTFDXTLPTQDVNU-UHFFFAOYSA-N
- SMILES： ClC(C12CCCC1C1CCC2C1)=O
Computed Properties
- Exact Mass: 198.0811428g/mol
- Monoisotopic Mass: 198.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 3.7
Octahydro-3aH-4,7-methanoindene-3a-carbonyl chloride Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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