| CAS Number | 100129-54-2 |
| Catalog Number | AG00011K(AGN-PC-0WB4P9) |
| Chemical Name | 2-Chloro-N-(4-isopropoxyphenyl)acetamide |
| IUPAC Name | 2-chloro-N-(4-propan-2-yloxyphenyl)acetamide |
| InChI | InChI=1S/C11H14ClNO2/c1-8(2)15-10-5-3-9(4-6-10)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChI Key | HVOJEGURDPDERX-UHFFFAOYSA-N |
| MDL Number | MFCD02959561 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | C(CCl)(=O)NC1C=CC(=CC=1)OC(C)C |
| Synonyms | 100129-54-2,
2-CHLORO-N-(4-ISOPROPOXYPHENYL)ACETAMIDE,
Acetamide, 2-chloro-N-[4-(1-methylethoxy)phenyl]-,
SCHEMBL1948433,
CTK3J8571,
DTXSID50586102,
CHEMBRDG-BB 6934243,
ZINC5644317,
MFCD02959561,
Acetanilide, 2-chloro-4'-isopropoxy-,
AKOS000104838,
MCULE-7848657858,
AJ-54460,
TL8000035,
ST50401966,
2-chloro-N-[4-(methylethoxy)phenyl]acetamide,
W-9880,
2-Chloro-N-{4-[(propan-2-yl)oxy]phenyl}acetamide,
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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 | 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 | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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