Cas no 90801-53-9 (Cyclopentadienone, 2-bromo- (7CI))
90801-53-9 structure
Product Name:Cyclopentadienone, 2-bromo- (7CI)
CAS No:90801-53-9
MF:C5H3BrO
MW:158.980720758438
CID:995123
PubChem ID:54323072
Update Time:2025-04-20
Cyclopentadienone, 2-bromo- (7CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentadienone, 2-bromo- (7CI)
- SCHEMBL10874892
- 2-bromocyclopentadienone
- 90801-53-9
- Cyclopentadienone,2-bromo-(7ci)
-
- Inchi： 1S/C5H3BrO/c6-4-2-1-3-5(4)7/h1-3H
- InChI Key： SSZQFFQYQDZGNX-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC1=O
Computed Properties
- Exact Mass: 157.937
- Monoisotopic Mass: 157.937
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 156
- 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: 17.1A^2
- XLogP3: 1.7
Cyclopentadienone, 2-bromo- (7CI) Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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