| CAS Number | 100129-45-1 |
| Catalog Number | AG00011L(AGN-PC-0WB481) |
| Chemical Name | 3-chloro-N-ethyl-N-phenylpropanamide |
| IUPAC Name | 3-chloro-N-ethyl-N-phenylpropanamide |
| InChI | InChI=1S/C11H14ClNO/c1-2-13(11(14)8-9-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChI Key | UXMLUSLRVFUINU-UHFFFAOYSA-N |
| MDL Number | MFCD02973606 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | C(=O)(CCCl)N(CC)C1C=CC=CC=1 |
| Synonyms | 3-chloro-N-ethyl-N-phenylpropanamide,
100129-45-1,
propanamide, 3-chloro-N-ethyl-N-phenyl-,
AC1MN456,
CTK3J8570,
DTXSID90390886,
ALBB-016624,
ZINC5979365,
ZX-AN015316,
ZX-CM015522,
7096AC,
MFCD02973606,
AKOS000142539,
AJ-55390,
FT-0684074,
W-9895,
I14-28806,
C11H14ClNO,
3-chloro-N-ethyl-N-phenyl-propanamide,
CID3271269,
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| Complexity | 178 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number