Cas no 19157-82-5 ( )
structure
Product Name:
CAS No:19157-82-5
MF:C13H13ClN2O3
MW:280.706922292709
CID:907820
PubChem ID:24190401
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-[(3-nitrophenyl)methoxy]aniline,hydrochloride
- NSC107554
- NSC-107554
- DTXSID40637834
- 3-[(3-nitrophenyl)methoxy]aniline
- DS-004682
- 3-[(3-Nitrophenyl)methoxy]aniline--hydrogen chloride (1/1)
- 19157-82-5
-
-
- Inchi： 1S/C13H12N2O3.ClH/c14-11-4-2-6-13(8-11)18-9-10-3-1-5-12(7-10)15(16)17;/h1-8H,9,14H2;1H
- InChI Key： TXADALCXNMGRGD-UHFFFAOYSA-N
- SMILES： Cl.O(C1C=CC=C(C=1)N)CC1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 244.08486
- Monoisotopic Mass: 280.0614700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 81.1?2
Experimental Properties
- PSA: 78.39
- LogP: 4.66240
Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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