Cas no 115310-16-2 (1-benzyl-6,7-dihydro-1H-indazol-4(5H)-one)
115310-16-2 structure
Product Name:1-benzyl-6,7-dihydro-1H-indazol-4(5H)-one
CAS No:115310-16-2
MF:C14H14N2O
MW:226.273763179779
CID:860312
Update Time:2026-04-29
1-benzyl-6,7-dihydro-1H-indazol-4(5H)-one Chemical and Physical Properties
Names and Identifiers
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- 1-benzyl-6,7-dihydro-1H-indazol-4(5H)-one
- 1-benzyl-6,7-dihydro-5H-indazol-4-one
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- Inchi： InChI=1S/C14H14N2O/c17-14-8-4-7-13-12(14)9-15-16(13)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
- InChI Key： KZRACVAICNSDTK-UHFFFAOYSA-N
- SMILES： C1=CC=C(C=C1)CN2C3=C(C=N2)C(=O)CCC3
Computed Properties
- Exact Mass: 226.11072
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
Experimental Properties
- PSA: 34.89
1-benzyl-6,7-dihydro-1H-indazol-4(5H)-one Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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