| CAS Number | 123989-29-7 |
| Catalog Number | AG000LC7(AGN-PC-00MRPD) |
| Chemical Name | 1-Propanone, 1-(4-chlorophenyl)-2-cyclopropyl- |
| EC Number | 602-964-3 |
| IUPAC Name | 1-(4-chlorophenyl)-2-cyclopropylpropan-1-one |
| InChI | InChI=1S/C12H13ClO/c1-8(9-2-3-9)12(14)10-4-6-11(13)7-5-10/h4-9H,2-3H2,1H3 |
| InChI Key | LRWCURGZPQWMRG-UHFFFAOYSA-N |
| MDL Number | MFCD09951835 |
| Molecular Formula | C12H13ClO |
| Molecular Weight | 208.6840 |
| SMILES | ClC1=CC=C(C=C1)C(C(C)C1CC1)=O |
| Synonyms | 1-(4-CHLOROPHENYL)-2-CYCLOPROPYLPROPAN-1-ONE,
123989-29-7,
1-Propanone, 1-(4-chlorophenyl)-2-cyclopropyl-,
1-(4-chlorophenyl)-2-cyclopropyl-propan-1-one,
SCHEMBL868012,
DTXSID10542027,
LRWCURGZPQWMRG-UHFFFAOYSA-N,
BBL103788,
MFCD09951835,
STL557598,
AKOS015911006,
AN-32747,
X5556,
989P297,
1-(4-chlorophenyl)-2-cyclopropylpropan-1-one (BBT),
I14-38515,
C12H13ClO,
1-(4-Chlorophenyl)-2-Cyclopropylpropanon-1,
EC 602-964-3,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.685g/mol |
| Monoisotopic Mass | 208.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number