-
1-Fluoro-3-[(E)-2-Methoxyvinyl]Benzene
1. Names and Identifiers
- 1.1 Name
- 1-Fluoro-3-[(E)-2-Methoxyvinyl]Benzene
- 1.2 Synonyms
- (E)-1-Fluoro-3-(2-methoxyvinyl)benzene; 1-fluoro-3-(2-methoxyethenyl)benzene; BENZENE, 1-FLUORO-3-(2-METHOXYETHENYL)-; Benzene, 1-fluoro-3-[(1E)-2-methoxyethenyl]- (9CI); CTK4D9782; CTK4I7830;
- 1.3 CAS No.
- 438585-93-4
- 1.4 CID
- 22125683
- 1.5 Molecular Formula
- C9H9FO
- 1.6 Inchi
- InChI=1S/C9H9FO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+
- 1.7 InChkey
- HFXQDGRBGIEYNE-AATRIKPKSA-N
- 1.8 Canonical Smiles
- COC=CC1=CC(=CC=C1)F
- 1.9 Isomers Smiles
- CO/C=C/C1=CC(=CC=C1)F
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Computed Properties
- Molecular Weight：152.1655632g/mol
- Molecular Formula：C9H9FO
- Compound Is Canonicalized：True
- Exact Mass：2.4
- XLogP3-AA：152.063743068
- Monoisotopic Mass：152.063743068
- Complexity：134
- Rotatable Bond Count：2
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：2
- Topological Polar Surface Area：9.2
- Heavy Atom Count：：11
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：1
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADccBwIQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwAAAAAADACgmAoyAIAABACAAiBCAAACCAAgIAAIiAAAAIgIICKAERCAIAAggAAIiAcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Realated Product Infomation
EN![1-Fluoro-3-[(E)-2-Methoxyvinyl]Benzene structure](https://structimg.guidechem.com/6/54/222713.png)
