Cas no 95447-67-9 (4-bromo-1H-pyrazole-1,3,5-d3)
4-bromo-1H-pyrazole-1,3,5-d3 structure
Product Name:4-bromo-1H-pyrazole-1,3,5-d3
CAS No:95447-67-9
MF:C3H3BrN2
MW:149.991804361343
CID:6826635
PubChem ID:172406708
Update Time:2025-02-14
4-bromo-1H-pyrazole-1,3,5-d3 Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-1H-pyrazole-1,3,5-d3
- CS-24802
- 95447-67-9
-
- Inchi： 1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)/i1D,2D/hD
- InChI Key： WVGCPEDBFHEHEZ-ILCKQIEWSA-N
- SMILES： BrC1C([2H])=NN([2H])C=1[2H]
Computed Properties
- Exact Mass: 148.96679Da
- Monoisotopic Mass: 148.96679Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 48.1
- 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: 0.3
- Topological Polar Surface Area: 28.7?2
4-bromo-1H-pyrazole-1,3,5-d3 Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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