| CAS Number | 544440-95-1 |
| Catalog Number | AG00DAJZ(AGN-PC-0WB4SE) |
| Chemical Name | 3-chloro-N-(4-fluorobenzyl)propanamide |
| IUPAC Name | 3-chloro-N-[(4-fluorophenyl)methyl]propanamide |
| InChI | InChI=1S/C10H11ClFNO/c11-6-5-10(14)13-7-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14) |
| InChI Key | FDFDRWIRFBXCTI-UHFFFAOYSA-N |
| MDL Number | MFCD03378039 |
| Molecular Formula | C10H11ClFNO |
| Molecular Weight | 215.6518 |
| SMILES | C(=O)(CCCl)NCC1C=CC(=CC=1)F |
| Synonyms | 3-chloro-N-(4-fluorobenzyl)propanamide,
544440-95-1,
3-chloro-N-[(4-fluorophenyl)methyl]propanamide,
3-CHLORO-N-(4-FLUORO-BENZYL)-PROPIONAMIDE,
AC1NQPUI,
CTK5A1033,
DTXSID30413427,
ZINC6332573,
ZX-CM017285,
MFCD03378039,
STK481852,
AKOS000137984,
BBV-021296,
MCULE-6222129468,
AJ-56087,
DB-028510,
FT-0759375,
ST50926437,
Y-0312,
CID5252626,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.652g/mol |
| Monoisotopic Mass | 215.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number