Cas no 109012-46-6 (1H-Imidazole-2-carbonylchloride, 1-methyl-4-nitro-)
109012-46-6 structure
Product Name:1H-Imidazole-2-carbonylchloride, 1-methyl-4-nitro-
CAS No:109012-46-6
MF:C5H4ClN3O3
MW:189.556559562683
CID:128248
PubChem ID:19108629
Update Time:2025-04-18
1H-Imidazole-2-carbonylchloride, 1-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carbonylchloride, 1-methyl-4-nitro-
- 1H-Imidazole-2-carbonylchloride,1-methyl-4-nitro-(9CI)
- 1-methyl-4-nitroimidazole-2-carbonyl chloride
- 1-METHYL-4-NITRO-1H-IMIDAZOLE-2-CARBONYL CHLORIDE
- DOIVDOOHZBARHF-UHFFFAOYSA-N
- SCHEMBL9385677
- 109012-46-6
- DTXSID30598162
-
- Inchi： 1S/C5H4ClN3O3/c1-8-2-3(9(11)12)7-5(8)4(6)10/h2H,1H3
- InChI Key： DOIVDOOHZBARHF-UHFFFAOYSA-N
- SMILES： ClC(C1=NC(=CN1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 188.9941187g/mol
- Monoisotopic Mass: 188.9941187g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 0.1
- Topological Polar Surface Area: 80.7?2
Experimental Properties
- PSA: 80.71000
- LogP: 1.23050
1H-Imidazole-2-carbonylchloride, 1-methyl-4-nitro- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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