| CAS Number | 860537-37-7 |
| Catalog Number | AG019JX6 |
| Chemical Name | 1-(4-Butylphenyl)-2-chloroethanone |
| IUPAC Name | 1-(4-butylphenyl)-2-chloroethanone |
| InChI | InChI=1S/C12H15ClO/c1-2-3-4-10-5-7-11(8-6-10)12(14)9-13/h5-8H,2-4,9H2,1H3 |
| InChI Key | GLTJDNFNBNXTFM-UHFFFAOYSA-N |
| MDL Number | MFCD06655091 |
| Molecular Formula | C12H15ClO |
| Molecular Weight | 210.6999 |
| SMILES | CCCCC1=CC=C(C(CCl)=O)C=C1 |
| Synonyms | 1-(4-butylphenyl)-2-chloroethan-1-one,
1-(4-Butylphenyl)-2-chloroethanone,
860537-37-7,
AC1LC6AU,
AC1Q2VE7,
SCHEMBL9331746,
CTK6D6307,
GLTJDNFNBNXTFM-UHFFFAOYSA-N,
ZINC4200295,
AKOS000200678,
NE13325,
1-(4-Butylphenyl)-2-chloroethanone #,
Ethanone, 1-(4-butylphenyl)-2-chloro-,
EN300-10636,
CID595098,
ZINC04200295,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.701g/mol |
| Monoisotopic Mass | 210.081g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number