Cas no 847818-50-2 (1H-PYRAZOLE, 4-BROMO-1-(3,3-DIETHOXYPROPYL)-)
847818-50-2 structure
Product Name:1H-PYRAZOLE, 4-BROMO-1-(3,3-DIETHOXYPROPYL)-
CAS No:847818-50-2
MF:C10H17BrN2O2
MW:277.158181905746
CID:3231868
PubChem ID:23247856
Update Time:2025-04-21
1H-PYRAZOLE, 4-BROMO-1-(3,3-DIETHOXYPROPYL)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRAZOLE, 4-BROMO-1-(3,3-DIETHOXYPROPYL)-
- 4-bromo-1-(3,3-diethoxypropyl)-1H-pyrazole
- DTXSID101268872
- AKOS012940157
- 847818-50-2
- DB-166969
-
- Inchi： 1S/C10H17BrN2O2/c1-3-14-10(15-4-2)5-6-13-8-9(11)7-12-13/h7-8,10H,3-6H2,1-2H3
- InChI Key： JFUCXAVQIUATHP-UHFFFAOYSA-N
- SMILES： BrC1C=NN(C=1)CCC(OCC)OCC
Computed Properties
- Exact Mass: 276.04734Da
- Monoisotopic Mass: 276.04734Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 166
- 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: 1.8
- Topological Polar Surface Area: 36.3?2
1H-PYRAZOLE, 4-BROMO-1-(3,3-DIETHOXYPROPYL)- Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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