Cas no 98554-17-7 (Acetophenone, 3-amino-2,4-dichloro- (6CI))
98554-17-7 structure
Product Name:Acetophenone, 3-amino-2,4-dichloro- (6CI)
CAS No:98554-17-7
MF:C8H7Cl2NO
MW:204.053280115128
CID:801921
Update Time:2023-03-27
Acetophenone, 3-amino-2,4-dichloro- (6CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3-amino-4-chlorophenyl)-2-chloro-
- Acetophenone, 3-amino-2,4-dichloro- (6CI)
- 1-(3-amino-4-chloro-phenyl)-2-chloro-ethanone
-
- Inchi： 1S/C8H7Cl2NO/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4,11H2
- InChI Key： SJFHGLRVJKQIQZ-UHFFFAOYSA-N
- SMILES： C(=O)(C1=CC=C(Cl)C(N)=C1)CCl
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 49
- Rotatable Bond Count: 5
- Complexity: 1260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 8
- XLogP3: 5.1
Acetophenone, 3-amino-2,4-dichloro- (6CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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