| CAS Number | 41037-51-8 |
| Catalog Number | AG00CQY4(AGN-PC-001CPS) |
| Chemical Name | 1-(2-Chloroethyl)-3-fluorobenzene |
| IUPAC Name | 1-(2-chloroethyl)-3-fluorobenzene |
| InChI | InChI=1S/C8H8ClF/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2 |
| InChI Key | GYPFVSLTAQBJHV-UHFFFAOYSA-N |
| MDL Number | MFCD11646267 |
| Molecular Formula | C8H8ClF |
| Molecular Weight | 158.6005 |
| SMILES | FC1=CC(CCCl)=CC=C1 |
| Synonyms | 41037-51-8,
Benzene, 1-(2-chloroethyl)-3-fluoro-,
1-(2-chloroethyl)-3-fluoroBenzene,
SCHEMBL9557085,
1-fluoro-3-(chloroethyl)benzene,
ZINC57385874,
AKOS009359412,
1- -4-fluorobenzene,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.6g/mol |
| Monoisotopic Mass | 158.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number