Cas no 916791-70-3 (1H-Pyrazole-5-carbonitrile,4-bromo-)
916791-70-3 structure
Product Name:1H-Pyrazole-5-carbonitrile,4-bromo-
CAS No:916791-70-3
MF:C4H2BrN3
MW:171.982779026031
CID:803264
PubChem ID:2735623
Update Time:2025-04-19
1H-Pyrazole-5-carbonitrile,4-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carbonitrile,4-bromo-
- 4-bromo-1h-pyrazole-3-carbonitrile
- 4-Bromo-1H-Pyrazole-5-Carbonitrile
- HMS559O02
- 4-Bromo-2H-pyrazole-3-carbonitrile
- A5432
- PS-4370
- EN300-1697946
- J-514548
- FT-0617706
- Maybridge1_006470
- 1H-Pyrazole-3-carbonitrile,4-bromo
- SY006371
- 4-Bromo-1H-pyrazole-3-carbonitrile, 97%
- Z1201623426
- J-017283
- SCHEMBL581659
- 4-bromo-1 h-pyrazole-3-carbonitrile
- 1H-Pyrazole-3-carbonitrile, 4-bromo-
- DTXSID00951467
- FS-1748
- MFCD06245535
- 4-Bromopyrazole-3-carbonitrile
- AKOS005145574
- CS-W019842
- 916791-70-3
- 288246-16-2
- AMY9202
- AKOS006228371
- BP-10302
- AC-8260
- BCP23452
- C4H2BrN3
- 4-Bromo-3-cyano-1H-pyrazole
- AMY6477
- 4-Bromo-3-Cyanopyrazole
- AKOS025394604
- ZXVFKQRZKKGVNJ-UHFFFAOYSA-N
- MFCD00105683
- GEO-00562
-
- Inchi： 1S/C4H2BrN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8)
- InChI Key： ZXVFKQRZKKGVNJ-UHFFFAOYSA-N
- SMILES： BrC1C=NNC=1C#N
Computed Properties
- Exact Mass: 170.94321g/mol
- Monoisotopic Mass: 170.94321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 127
- 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
- Topological Polar Surface Area: 52.5?2
1H-Pyrazole-5-carbonitrile,4-bromo- Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
916791-70-3 (1H-Pyrazole-5-carbonitrile,4-bromo-) Related Products
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