Cas no 105676-90-2 (1-benzylcyclopropane-1-carbonyl Chloride)
105676-90-2 structure
Product Name:1-benzylcyclopropane-1-carbonyl Chloride
CAS No:105676-90-2
MF:C11H11ClO
MW:194.657442331314
CID:1159405
PubChem ID:13640312
Update Time:2025-04-20
1-benzylcyclopropane-1-carbonyl Chloride Chemical and Physical Properties
Names and Identifiers
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- 1-benzylcyclopropane-1-carbonyl Chloride
- 105676-90-2
- DTXSID20545665
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- Inchi： 1S/C11H11ClO/c12-10(13)11(6-7-11)8-9-4-2-1-3-5-9/h1-5H,6-8H2
- InChI Key： JRSMNNRNGKIGOJ-UHFFFAOYSA-N
- SMILES： ClC(C1(CC2C=CC=CC=2)CC1)=O
Computed Properties
- Exact Mass: 194.0498427g/mol
- Monoisotopic Mass: 194.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 2.77470
1-benzylcyclopropane-1-carbonyl Chloride Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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