Cas no 40497-64-1 ( )
structure
Product Name:
CAS No:40497-64-1
MF:C5H5ClN4O2
MW:188.571799039841
CID:925838
PubChem ID:301040
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-3-nitropyridine-2,6-diamine
- 2,6-Diamino-4-chlor-3-nitropyridin
- 2,6-diamino-4-chloro-3-nitropyridine
- 4-chloro-3-nitro-pyridine-2,6-diamine
- AC1L6XKC
- NSC176972
- DTXSID70306501
- DS-014945
- NSC-176972
- 40497-64-1
- 4-chloro-3-nitro-2,6-diaminopyridine
-
-
- Inchi： 1S/C5H5ClN4O2/c6-2-1-3(7)9-5(8)4(2)10(11)12/h1H,(H4,7,8,9)
- InChI Key： CMNUNCQRSZQOGH-UHFFFAOYSA-N
- SMILES： ClC1C=C(N)N=C(C=1[N+](=O)[O-])N
Computed Properties
- Exact Mass: 188.01025
- Monoisotopic Mass: 188.0101031g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 185
- 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: 1.2
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 108.07
- LogP: 2.49320
Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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