| CAS Number | 908494-81-5 |
| Catalog Number | AG00GVNX(AGN-PC-0WB51L) |
| Chemical Name | 3-chloro-N-(3-fluoro-4-methylphenyl)propanamide |
| IUPAC Name | 3-chloro-N-(3-fluoro-4-methylphenyl)propanamide |
| InChI | InChI=1S/C10H11ClFNO/c1-7-2-3-8(6-9(7)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14) |
| InChI Key | ZULMRTGDQRGKGL-UHFFFAOYSA-N |
| MDL Number | MFCD08593341 |
| Molecular Formula | C10H11ClFNO |
| Molecular Weight | 215.6518 |
| SMILES | C(=O)(CCCl)NC1=CC=C(C(F)=C1)C |
| Synonyms | 3-chloro-N-(3-fluoro-4-methylphenyl)propanamide,
908494-81-5,
CTK5G8525,
DTXSID80588412,
CHEMBRDG-BB 9070756,
ALBB-003600,
2831AF,
BBL017799,
MFCD08593341,
STK482587,
ZINC13322879,
AKOS000138140,
MCULE-5858196636,
AJ-63629,
ST45173542,
Y-3990,
C10H11ClFNO,
CHEMBRDG-BB9070756,
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| Complexity | 201 |
| 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 | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number