Cas no 27700-45-4 (Ethanone, 1-(3-aminophenyl)-2,2-dichloro- (9CI))
27700-45-4 structure
Product Name:Ethanone, 1-(3-aminophenyl)-2,2-dichloro- (9CI)
CAS No:27700-45-4
MF:C8H7Cl2NO
MW:204.053280115128
CID:251360
PubChem ID:45081008
Update Time:2025-04-19
Ethanone, 1-(3-aminophenyl)-2,2-dichloro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3-aminophenyl)-2,2-dichloro- (9CI)
- 1-(3-aminophenyl)-2,2-dichloroethanone
- 27700-45-4
- DTXSID40664281
- 1-(3-Aminophenyl)-2,2-dichloroethan-1-one
-
- Inchi： 1S/C8H7Cl2NO/c9-8(10)7(12)5-2-1-3-6(11)4-5/h1-4,8H,11H2
- InChI Key： JRRYMSJCAVMOKR-UHFFFAOYSA-N
- SMILES： ClC(C(C1C=CC=C(C=1)N)=O)Cl
Computed Properties
- Exact Mass: 202.99061
- Monoisotopic Mass: 202.99
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- 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
- Topological Polar Surface Area: 43.1A^2
- XLogP3: 2.3
Experimental Properties
- PSA: 43.09
Ethanone, 1-(3-aminophenyl)-2,2-dichloro- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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