Cas no 1428761-05-0 ()
structure
Product Name:
CAS No:1428761-05-0
MF:C7H10ClN3O
MW:187.626800060272
CID:6768897
PubChem ID:86683495
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C7H10ClN3O/c1-2-9-6-5(4-12)3-10-7(8)11-6/h3,12H,2,4H2,1H3,(H,9,10,11)
- InChI Key： FURQRMZQSHAKCY-UHFFFAOYSA-N
- SMILES： ClC1=NC=C(CO)C(=N1)NCC
Computed Properties
- Exact Mass: 187.0512396g/mol
- Monoisotopic Mass: 187.0512396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 136
- 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: 1.5
- Topological Polar Surface Area: 58?2
Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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