Cas no 62366-46-5 (1H-Imidazole-2-carbonyl chloride, 1-propyl-)
62366-46-5 structure
Product Name:1H-Imidazole-2-carbonyl chloride, 1-propyl-
CAS No:62366-46-5
MF:C7H9ClN2O
MW:172.61216044426
CID:447813
PubChem ID:45081454
Update Time:2025-04-19
1H-Imidazole-2-carbonyl chloride, 1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carbonyl chloride, 1-propyl-
- 1H-Imidazole-2-carbonyl chloride, 1-propyl- (9CI)
- 1-propylimidazole-2-carbonyl chloride
- 1-PROPYL-1H-IMIDAZOLE-2-CARBONYL CHLORIDE
- 1H-Imidazole-2-carbonyl chloride,1-propyl-(9ci)
- DTXSID50664616
- 62366-46-5
-
- Inchi： 1S/C7H9ClN2O/c1-2-4-10-5-3-9-7(10)6(8)11/h3,5H,2,4H2,1H3
- InChI Key： ONGKDTLVSUBXMT-UHFFFAOYSA-N
- SMILES： ClC(C1=NC=CN1CCC)=O
Computed Properties
- Exact Mass: 172.04047
- Monoisotopic Mass: 172.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 151
- 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: 1.7
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Imidazole-2-carbonyl chloride, 1-propyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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