| CAS Number | 40023-41-4 |
| Catalog Number | AG00CRAC(AGN-PC-0O9XWQ) |
| Chemical Name | 2-chloro-N-(1-phenylethyl)propanamide |
| IUPAC Name | 2-chloro-N-(1-phenylethyl)propanamide |
| InChI | InChI=1S/C11H14ClNO/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14) |
| InChI Key | QSGXOZATHLLEEQ-UHFFFAOYSA-N |
| MDL Number | MFCD05262954 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | CC(C(NC(C1=CC=CC=C1)C)=O)Cl |
| Synonyms | 2-chloro-N-(1-phenylethyl)propanamide,
40023-41-4,
(2S)-2-chloro-N-[(1S)-1-phenylethyl]propanamide,
1932330-64-7,
1687750-35-1,
AC1MWMPL,
AC1Q2AUJ,
CTK4I2289,
DTXSID80396630,
AKOS000263627,
AKOS016881295,
MCULE-2397483652,
NE13032,
EN300-08446,
SR-01000050415,
SR-01000050415-1,
2-CHLORO-N- PROPANAMIDE,
ZINC02649894,
CID3801710,
(2S)-2-chloro-N-[(1R)-1-phenylethyl]propanamide,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number