Cas no 380899-55-8 (Benzoyl chloride,2-(3-methyl-1,2,4-oxadiazol-5-yl)-)
380899-55-8 structure
Product Name:Benzoyl chloride,2-(3-methyl-1,2,4-oxadiazol-5-yl)-
CAS No:380899-55-8
MF:C10H7ClN2O2
MW:222.627781152725
CID:298383
PubChem ID:23450116
Update Time:2025-04-19
Benzoyl chloride,2-(3-methyl-1,2,4-oxadiazol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,2-(3-methyl-1,2,4-oxadiazol-5-yl)-
- 2-(3-Methyl-[1,2,4]oxadiazol-5-yl)benzoylchloride
- 2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride
- AG-F-34148
- CC49602
- CTK4H9304
- KB-66799
- MolPort-000-143-509
- SBB096381
- 380899-55-8
- DTXSID50634273
- REXHKRXCNIEBFX-UHFFFAOYSA-N
- SCHEMBL4850971
- 2-(3-Methyl-1,2,4-oxadiazol-5-yl)-benzoyl chloride
- FT-0764126
-
- Inchi： 1S/C10H7ClN2O2/c1-6-12-10(15-13-6)8-5-3-2-4-7(8)9(11)14/h2-5H,1H3
- InChI Key： REXHKRXCNIEBFX-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1C1=NC(C)=NO1)=O
Computed Properties
- Exact Mass: 222.02000
- Monoisotopic Mass: 222.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 56?2
Experimental Properties
- Density: 1.335
- Boiling Point: 373.9°Cat760mmHg
- Flash Point: 179.9°C
- Refractive Index: 1.566
- PSA: 55.99000
- LogP: 2.42400
Benzoyl chloride,2-(3-methyl-1,2,4-oxadiazol-5-yl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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