| CAS Number | 28593-13-7 |
| Catalog Number | AG002VRF(AGN-PC-025AFQ) |
| Chemical Name | Benzene, 1-fluoro-3-pentyl- |
| IUPAC Name | 1-fluoro-3-pentylbenzene |
| InChI | InChI=1S/C11H15F/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9H,2-4,6H2,1H3 |
| InChI Key | WZCMASGAHPDHIG-UHFFFAOYSA-N |
| MDL Number | MFCD22376645 |
| Molecular Formula | C11H15F |
| Molecular Weight | 166.2352 |
| SMILES | CCCCCC1=CC(F)=CC=C1 |
| Synonyms | 1-Fluoro-3-pentylbenzene,
28593-13-7,
1-Fluoro-5-pentylbenzene,
Benzene, 1-fluoro-3-pentyl-,
SCHEMBL12693653,
DTXSID50597334,
MFCD22376645,
ZINC91301297,
AKOS016012280,
KS-0000100Y,
AK123018,
DA-18195,
AJ-129589,
AX8247196,
FT-0720745,
J3.642.925I,
4-Fluoropentylbenzene,
28593-14-8,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.239g/mol |
| Monoisotopic Mass | 166.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number