Cas no 1185320-05-1 (4-Bromo-3-(methyl-d3)-pyrazole)
1185320-05-1 structure
Product Name:4-Bromo-3-(methyl-d3)-pyrazole
CAS No:1185320-05-1
MF:C4H5BrN2
MW:160.999899625778
CID:5143142
PubChem ID:45785308
Update Time:2024-11-05
4-Bromo-3-(methyl-d3)-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-3-(methyl-d3)-pyrazole
- AKOS015944267
- 1185320-05-1
- AKOS015944379
- F92443
-
- Inchi： 1S/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
- InChI Key： IXQPRETWBGVNPJ-UHFFFAOYSA-N
- SMILES： BrC1=CNN=C1C([H])([H])[H]
Computed Properties
- Exact Mass: 162.98244g/mol
- Monoisotopic Mass: 162.98244g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 66.7
- 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: 1.3
- Topological Polar Surface Area: 28.7?2
4-Bromo-3-(methyl-d3)-pyrazole 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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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