| CAS Number | 105909-52-2 |
| Catalog Number | AG007WHA(AGN-PC-0WB499) |
| Chemical Name | 3-Chloro-N-(2-methoxybenzyl)propanamide |
| IUPAC Name | 3-chloro-N-[(2-methoxyphenyl)methyl]propanamide |
| InChI | InChI=1S/C11H14ClNO2/c1-15-10-5-3-2-4-9(10)8-13-11(14)6-7-12/h2-5H,6-8H2,1H3,(H,13,14) |
| InChI Key | FVBYAFBTSQKJJN-UHFFFAOYSA-N |
| MDL Number | MFCD02973798 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | C(=O)(CCCl)NCC1=CC=CC=C1OC |
| Synonyms | 3-CHLORO-N-(2-METHOXYBENZYL)PROPANAMIDE,
105909-52-2,
AC1MO4A9,
3-chloro-N-[(2-methoxyphenyl)methyl]propanamide,
CTK4A4208,
DTXSID30391372,
CHEMBRDG-BB 5357929,
ZINC5746448,
ZX-CM015538,
MFCD02973798,
AKOS000159755,
AJ-54710,
W-9901,
CID3314382,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^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