Cas no 35783-57-4 (2-(5-chloro-1,3-benzoxazol-2-yl)acetamide)
35783-57-4 structure
Product Name:2-(5-chloro-1,3-benzoxazol-2-yl)acetamide
CAS No:35783-57-4
MF:C9H7ClN2O2
MW:210.617080926895
CID:1473527
PubChem ID:215489
Update Time:2025-04-20
2-(5-chloro-1,3-benzoxazol-2-yl)acetamide Chemical and Physical Properties
Names and Identifiers
-
- 2-(5-chloro-1,3-benzoxazol-2-yl)acetamide
- BRN 1075662
- NS00122656
- SCHEMBL11309125
- N-(5-Chloro-2-benzoxazolyl)acetamide
- 5-Chloro-2-benzoxazoleacetamide
- ACETAMIDE,N-(5-CHLORO-2-BENZOXAZOLYL)-
- DTXSID70189311
- 2-(5-Chlorobenzo[d]oxazol-2-yl)acetamide
- 6HVN25U29H
- 2-Benzoxazoleacetamide, 5-chloro-
- 35783-57-4
- 2-Acetylzoxazolamine
-
- Inchi： 1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)12-9(14-7)4-8(11)13/h1-3H,4H2,(H2,11,13)
- InChI Key： JSYBNEUCRYGVAR-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)N=C(CC(N)=O)O2
Computed Properties
- Exact Mass: 210.01971
- Monoisotopic Mass: 210.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 237
- 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: 1.2
- Topological Polar Surface Area: 69.1?2
Experimental Properties
- Density: 1.451
- Boiling Point: 408.1°C at 760 mmHg
- Flash Point: 200.6°C
- Refractive Index: 1.643
- PSA: 69.12
2-(5-chloro-1,3-benzoxazol-2-yl)acetamide Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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