Cas no 88958-30-9 (3-Isoxazolecarbonyl chloride, 5-(3-nitrophenyl)-)
88958-30-9 structure
Product Name:3-Isoxazolecarbonyl chloride, 5-(3-nitrophenyl)-
CAS No:88958-30-9
MF:C10H5ClN2O4
MW:252.610701322556
CID:618262
PubChem ID:71320960
Update Time:2025-04-19
3-Isoxazolecarbonyl chloride, 5-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarbonyl chloride, 5-(3-nitrophenyl)-
- 5-(3-nitrophenyl)-1,2-oxazole-3-carbonyl chloride
- 88958-30-9
- DTXSID10750822
- 5-(3-Nitrophenyl)isoxazole-3-carbonyl chloride
-
- Inchi： 1S/C10H5ClN2O4/c11-10(14)8-5-9(17-12-8)6-2-1-3-7(4-6)13(15)16/h1-5H
- InChI Key： XUKRUOUUYAWVHB-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C2C=CC=C(C=2)[N+](=O)[O-])ON=1)=O
Computed Properties
- Exact Mass: 251.9937843g/mol
- Monoisotopic Mass: 251.9937843g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 320
- 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: 2.7
- Topological Polar Surface Area: 88.9?2
3-Isoxazolecarbonyl chloride, 5-(3-nitrophenyl)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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