Cas no 61671-54-3 (Ethanone, 1-(5-amino-2,4-dichlorophenyl)-, hydrochloride)
61671-54-3 structure
Product Name:Ethanone, 1-(5-amino-2,4-dichlorophenyl)-, hydrochloride
CAS No:61671-54-3
MF:C8H8Cl3NO
MW:240.514219284058
CID:470630
PubChem ID:71393549
Update Time:2025-04-19
Ethanone, 1-(5-amino-2,4-dichlorophenyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-(5-amino-2,4-dichlorophenyl)-, hydrochloride
- 1-(5-amino-2,4-dichlorophenyl)ethanone,hydrochloride
- 61671-54-3
- 1-(5-Amino-2,4-dichlorophenyl)ethan-1-one--hydrogen chloride (1/1)
- DTXSID50815308
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- Inchi： 1S/C8H7Cl2NO.ClH/c1-4(12)5-2-8(11)7(10)3-6(5)9;/h2-3H,11H2,1H3;1H
- InChI Key： JLXNQHYKENWLGV-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=C1C(C)=O)N)Cl.Cl
Computed Properties
- Exact Mass: 238.96734
- Monoisotopic Mass: 238.967147g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 186
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
Ethanone, 1-(5-amino-2,4-dichlorophenyl)-, hydrochloride Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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