| CAS Number | 1379078-16-6 |
| Catalog Number | AG01BFPK |
| Chemical Name | 1-(Chloromethyl)-4-cyclobutylbenzene |
| IUPAC Name | 1-(chloromethyl)-4-cyclobutylbenzene |
| InChI | InChI=1S/C11H13Cl/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3,8H2 |
| InChI Key | SBTDFAQEWXVTHL-UHFFFAOYSA-N |
| MDL Number | MFCD19440006 |
| Molecular Formula | C11H13Cl |
| Molecular Weight | 180.6739 |
| SMILES | ClCC1=CC=C(C2CCC2)C=C1 |
| Synonyms | 1-(chloromethyl)-4-cyclobutylbenzene,
1379078-16-6,
SCHEMBL10773364,
MFCD19440006,
ZINC98209865,
1-(Chloromethyl)-4-cyclobutyl)benzene,
NE45017,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.675g/mol |
| Monoisotopic Mass | 180.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number