| CAS Number | 64747-82-6 |
| Catalog Number | AG00IBEI(AGN-PC-00K55W) |
| Chemical Name | 1-(3-Chloropropyl)-4-fluorobenzene |
| IUPAC Name | 1-(3-chloropropyl)-4-fluorobenzene |
| InChI | InChI=1S/C9H10ClF/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2 |
| InChI Key | MMGVMGXKGNKRAU-UHFFFAOYSA-N |
| MDL Number | MFCD09744312 |
| Molecular Formula | C9H10ClF |
| Molecular Weight | 172.6271 |
| SMILES | ClCCCC1=CC=C(C=C1)F |
| Synonyms | 64747-82-6,
1-(3-CHLOROPROPYL)-4-FLUOROBENZENE,
Benzene, 1-(3-chloropropyl)-4-fluoro-,
SCHEMBL1722292,
CTK2A3538,
DTXSID50513291,
MMGVMGXKGNKRAU-UHFFFAOYSA-N,
ZINC49651063,
AKOS011896106,
1-(3-Chloro-propyl)-4-fluoro-benzene,
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| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.627g/mol |
| Monoisotopic Mass | 172.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number