Cas no 163595-54-8 (Ethanone,2-chloro-1-(2,4-diaminophenyl)-)
163595-54-8 structure
Product Name:Ethanone,2-chloro-1-(2,4-diaminophenyl)-
CAS No:163595-54-8
MF:C8H9ClN2O
MW:184.62286067009
CID:110255
PubChem ID:9989947
Update Time:2025-04-18
Ethanone,2-chloro-1-(2,4-diaminophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-chloro-1-(2,4-diaminophenyl)-
- 2-chloro-1-(2,4-diaminophenyl)ethanone
- Ethanone, 2-chloro-1-(2,4-diaminophenyl)- (9CI)
- 163595-54-8
- DTXSID20433735
-
- Inchi： 1S/C8H9ClN2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4,10-11H2
- InChI Key： AMEYPXQPBKGNSF-UHFFFAOYSA-N
- SMILES： ClCC(C1C=CC(=CC=1N)N)=O
Computed Properties
- Exact Mass: 184.04047
- Monoisotopic Mass: 184.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 1.7
- Topological Polar Surface Area: 69.1?2
Experimental Properties
- PSA: 69.11
Ethanone,2-chloro-1-(2,4-diaminophenyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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