Cas no 2091573-20-3 (Phenol, 2-amino-3-chloro-5-nitro-)
2091573-20-3 structure
Product Name:Phenol, 2-amino-3-chloro-5-nitro-
CAS No:2091573-20-3
MF:C6H5ClN2O3
MW:188.56850028038
CID:6625191
PubChem ID:12480337
Update Time:2024-01-08
Phenol, 2-amino-3-chloro-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-amino-3-chloro-5-nitro-
- 2091573-20-3
- SCHEMBL10699626
- 2-amino-3-chloro-5-nitrophenol
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- Inchi： 1S/C6H5ClN2O3/c7-4-1-3(9(11)12)2-5(10)6(4)8/h1-2,10H,8H2
- InChI Key： SEXJZYMVLHRUTA-UHFFFAOYSA-N
- SMILES： C1(O)=CC([N+]([O-])=O)=CC(Cl)=C1N
Computed Properties
- Exact Mass: 187.9988697g/mol
- Monoisotopic Mass: 187.9988697g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 184
- 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: 1.3
- Topological Polar Surface Area: 92.1?2
Experimental Properties
- Density: 1.655±0.06 g/cm3(Predicted)
- Boiling Point: 350.1±42.0 °C(Predicted)
- pka: 7.12±0.24(Predicted)
Phenol, 2-amino-3-chloro-5-nitro- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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