Cas no 1222556-80-0 (5-Chloromethyl-2-isopropyloxazole)
1222556-80-0 structure
Product Name:5-Chloromethyl-2-isopropyloxazole
CAS No:1222556-80-0
MF:C7H10ClNO
MW:159.613400936127
CID:4688804
PubChem ID:67358147
Update Time:2024-03-01
5-Chloromethyl-2-isopropyloxazole Chemical and Physical Properties
Names and Identifiers
-
- 5-chloromethyl-2-isopropyloxazole
- CBAAZSZPDANZLL-UHFFFAOYSA-N
- 5-Chloromethyl-2-isopropyloxazole
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- Inchi: 1S/C7H10ClNO/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3
- InChI Key: CBAAZSZPDANZLL-UHFFFAOYSA-N
- SMILES: ClCC1=CN=C(C(C)C)O1
Computed Properties
- Exact Mass: 159.0450916g/mol
- Monoisotopic Mass: 159.0450916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 108
- 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
- Topological Polar Surface Area: 26
- XLogP3: 1.9
5-Chloromethyl-2-isopropyloxazole Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Wan Lab Chip, 2020,20, 4528-4538
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