Cas no 100504-75-4 (Benzaldehyde,3-ethynyl-4-fluoro-)
100504-75-4 structure
Product Name:Benzaldehyde,3-ethynyl-4-fluoro-
CAS No:100504-75-4
MF:C9H5FO
MW:148.133805990219
CID:124129
PubChem ID:45079385
Update Time:2025-04-18
Benzaldehyde,3-ethynyl-4-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3-ethynyl-4-fluoro-
- Benzaldehyde, 3-ethynyl-4-fluoro- (9CI)
- 3-ethynyl-4-fluorobenzaldehyde
- 100504-75-4
- SCHEMBL22031520
- Benzaldehyde, 3-ethynyl-4-fluoro-
- DTXSID20663691
-
- Inchi： 1S/C9H5FO/c1-2-8-5-7(6-11)3-4-9(8)10/h1,3-6H
- InChI Key： JKQQTLCGZJYWTO-UHFFFAOYSA-N
- SMILES： FC1C=CC(C=O)=CC=1C#C
Computed Properties
- Exact Mass: 148.03245
- Monoisotopic Mass: 148.032442941g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 191
- 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: 1.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde,3-ethynyl-4-fluoro- Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
100504-75-4 (Benzaldehyde,3-ethynyl-4-fluoro-) Related Products
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