Cas no 61871-83-8 (Ethanone, 1-(2-amino-3,5-dimethylphenyl)-2-chloro-)
61871-83-8 structure
Product Name:Ethanone, 1-(2-amino-3,5-dimethylphenyl)-2-chloro-
CAS No:61871-83-8
MF:C10H12ClNO
MW:197.661381721497
CID:464068
PubChem ID:12328842
Update Time:2025-04-19
Ethanone, 1-(2-amino-3,5-dimethylphenyl)-2-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2-amino-3,5-dimethylphenyl)-2-chloro-
- 1-(2-amino-3,5-dimethylphenyl)-2-chloroethanone
- 61871-83-8
- SCHEMBL5213337
- DTXSID90490138
- 1-(2-Amino-3,5-dimethylphenyl)-2-chloroethan-1-one
-
- Inchi： 1S/C10H12ClNO/c1-6-3-7(2)10(12)8(4-6)9(13)5-11/h3-4H,5,12H2,1-2H3
- InChI Key： ZSGQNRUYHJMIBL-UHFFFAOYSA-N
- SMILES： ClCC(C1=CC(C)=CC(C)=C1N)=O
Computed Properties
- Exact Mass: 197.06086
- Monoisotopic Mass: 197.0607417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 2.8
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
Ethanone, 1-(2-amino-3,5-dimethylphenyl)-2-chloro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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