Cas no 1197-32-6 (4(3H)-Pyrimidinone,5-chloro-6-hydroxy-2-(hydroxymethyl)-)
1197-32-6 structure
Product Name:4(3H)-Pyrimidinone,5-chloro-6-hydroxy-2-(hydroxymethyl)-
CAS No:1197-32-6
MF:C5H5ClN2O3
MW:176.55780005455
CID:209350
PubChem ID:233301
Update Time:2025-04-19
4(3H)-Pyrimidinone,5-chloro-6-hydroxy-2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,5-chloro-6-hydroxy-2-(hydroxymethyl)-
- 5-chloro-4-hydroxy-2-(hydroxymethyl)-1H-pyrimidin-6-one
- 5-Chlor-4,6-dihydroxy-2-hydroxymethyl-pyrimidin
- 5-chloro-2-hydroxymethyl-1H-pyrimidine-4,6-dione
- 5-chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one
- AC1L5PQT
- AC1Q6D13
- AG-K-67065
- AR-1G7807
- CTK4B1468
- NSC31714
- NSC-31714
- DTXSID70283469
- 1197-32-6
-
- Inchi： 1S/C5H5ClN2O3/c6-3-4(10)7-2(1-9)8-5(3)11/h9H,1H2,(H2,7,8,10,11)
- InChI Key： BZEAETLGGDEKKE-UHFFFAOYSA-N
- SMILES： ClC1=C(N=C(CO)NC1=O)O
Computed Properties
- Exact Mass: 175.99895
- Monoisotopic Mass: 175.9988697g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 259
- 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: -0.7
- Topological Polar Surface Area: 81.9?2
Experimental Properties
- PSA: 81.92
4(3H)-Pyrimidinone,5-chloro-6-hydroxy-2-(hydroxymethyl)- Related Literature
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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
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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