Cas no 57631-94-4 (Acetamide, 2-chloro-N-(2,6-dimethyl-3-nitrophenyl)-)
57631-94-4 structure
Product Name:Acetamide, 2-chloro-N-(2,6-dimethyl-3-nitrophenyl)-
CAS No:57631-94-4
MF:C10H11ClN2O3
MW:242.658941507339
CID:344764
PubChem ID:53984954
Update Time:2025-04-19
Acetamide, 2-chloro-N-(2,6-dimethyl-3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2-chloro-N-(2,6-dimethyl-3-nitrophenyl)-
- 2-chloro-N-(2,6-dimethyl-3-nitrophenyl)acetamide
- DTXSID80708158
- 57631-94-4
- SCHEMBL11666580
-
- Inchi： 1S/C10H11ClN2O3/c1-6-3-4-8(13(15)16)7(2)10(6)12-9(14)5-11/h3-4H,5H2,1-2H3,(H,12,14)
- InChI Key： KAVNTIJKUZDLOD-UHFFFAOYSA-N
- SMILES： ClCC(NC1C(C)=CC=C(C=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 242.04593
- Monoisotopic Mass: 242.0458199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 280
- 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: 2.3
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- PSA: 72.24
Acetamide, 2-chloro-N-(2,6-dimethyl-3-nitrophenyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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