Cas no 5466-03-5 ( )
structure
Product Name:
CAS No:5466-03-5
MF:C3H6ClN4O2
MW:165.55833864212
CID:942423
PubChem ID:24183281
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- NSC25973
- NSC-25973
- 5466-03-5
-
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- Inchi： 1S/C3H6N4O2.ClH/c4-3-5-1-2-6(3)7(8)9;/h1-2H2,(H2,4,5);1H/p-1
- InChI Key： UJPBQVVPISILCG-UHFFFAOYSA-M
- SMILES： [Cl-].[O-][N+](N1C(N)=NCC1)=O
Computed Properties
- Exact Mass: 165.0179281g/mol
- Monoisotopic Mass: 165.0179281g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 87.4?2
Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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