Cas no 885962-54-9 (4-(Benzyloxy)-1H-indazole-3-carbonitrile)
885962-54-9 structure
Product Name:4-(Benzyloxy)-1H-indazole-3-carbonitrile
CAS No:885962-54-9
MF:C15H11N3O
MW:249.267342805862
CID:2811400
PubChem ID:40479466
Update Time:2025-04-21
4-(Benzyloxy)-1H-indazole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- B64611
- 4-(Benzyloxy)-1H-indazole-3-carbonitrile
- 885962-54-9
- DTXSID60654442
- 4-Benzyloxy-3-cyanoindazole
-
- Inchi： 1S/C15H11N3O/c16-9-13-15-12(17-18-13)7-4-8-14(15)19-10-11-5-2-1-3-6-11/h1-8H,10H2,(H,17,18)
- InChI Key： FAXZVEOCUMGLNR-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1=CC=CC2=C1C(C#N)=NN2
Computed Properties
- Exact Mass: 249.090211983Da
- Monoisotopic Mass: 249.090211983Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 345
- 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: 3.1
- Topological Polar Surface Area: 61.7?2
4-(Benzyloxy)-1H-indazole-3-carbonitrile Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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