Cas no 909207-64-3 (N-Benzyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide)
909207-64-3 structure
Product Name:N-Benzyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CAS No:909207-64-3
MF:C15H16N2O2
MW:256.299743652344
CID:2110093
Update Time:2023-08-04
N-Benzyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- N-benzyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
- N-benzyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
- MLS000087351
- ChemDiv2_005762
- HMS2460M23
- HMS1385F20
- IDI1_004477
- SMR000023574
- N-Benzyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
-
- Inchi： 1S/C15H16N2O2/c18-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)19-17-14/h1-3,6-7H,4-5,8-10H2,(H,16,18)
- InChI Key： CUGZMSBAWFPYJV-UHFFFAOYSA-N
- SMILES： O1C2=C(C(C(NCC3C=CC=CC=3)=O)=N1)CCCC2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 315
- Topological Polar Surface Area: 55.1
N-Benzyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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