| CAS Number | 4773-35-7 |
| Catalog Number | AG00DQFU(AGN-PC-0JOCMR) |
| Chemical Name | 1-chloro-1-phenylpropan-2-one |
| IUPAC Name | 1-chloro-1-phenylpropan-2-one |
| InChI | InChI=1S/C9H9ClO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6,9H,1H3 |
| InChI Key | KFPLPFVPPOJDFF-UHFFFAOYSA-N |
| MDL Number | MFCD04614623 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| NSC Number | 38444 |
| SMILES | CC(C(C1=CC=CC=C1)Cl)=O |
| Synonyms | 1-Chloro-1-phenyl-propan-2-one,
4773-35-7,
KFPLPFVPPOJDFF-UHFFFAOYSA-N,
MFCD04614623,
NSC-38444,
AKOS008967086,
NE45323,
EN300-06746,
AR-1C2235,
CID236233,
5440-82-4,
1-chloro-1-phenylpropan-2-one,
NSC38444,
a-chloro-a-phenylacetone,
AC1Q1JAH,
AC1L5W5T,
AC1Q3GE4,
SCHEMBL356020,
1-chloro-1-phenyl-2-propanone,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.62g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number