Cas no 35947-99-0 (1-Propanone, 2-azido-1-phenyl-)
35947-99-0 structure
Product Name:1-Propanone, 2-azido-1-phenyl-
CAS No:35947-99-0
MF:C9H9N3O
MW:175.187261343002
CID:1475289
PubChem ID:10888434
Update Time:2025-04-21
1-Propanone, 2-azido-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 2-azido-1-phenyl-
- 2-azido-1-phenylpropan-1-one
- JHNYDLDDKDAYPX-UHFFFAOYSA-N
- SCHEMBL16977392
- 35947-99-0
- 2-azido-1-phenyl-1-propanone
- DTXSID50447183
- AKOS019036823
-
- Inchi： 1S/C9H9N3O/c1-7(11-12-10)9(13)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key： JHNYDLDDKDAYPX-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(C)N=[N+]=[N-]
Computed Properties
- Exact Mass: 175.07467
- Monoisotopic Mass: 175.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 31.4?2
Experimental Properties
- PSA: 65.83
1-Propanone, 2-azido-1-phenyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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