| CAS Number | 157672-18-9 |
| Catalog Number | AG001PML(AGN-PC-0WNR6C) |
| Chemical Name | 4-Bromo-N-(2-hydroxyethyl)-3-methylbenzamide |
| IUPAC Name | 4-bromo-N-(2-hydroxyethyl)-3-methylbenzamide |
| InChI | InChI=1S/C10H12BrNO2/c1-7-6-8(2-3-9(7)11)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14) |
| InChI Key | ZJHYAQOHOXXINY-UHFFFAOYSA-N |
| MDL Number | MFCD09972123 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | OCCNC(=O)c1ccc(c(c1)C)Br |
| Synonyms | 4-BROMO-N-(2-HYDROXYETHYL)-3-METHYLBENZAMIDE,
157672-18-9,
ACMC-209dgo,
SCHEMBL9435241,
CTK4C9434,
DTXSID00674422,
ANW-21718,
MFCD09972123,
ZINC38536989,
AKOS015835294,
RTR-006630,
AJ-95787,
CJ-19314,
TR-006630,
V3553,
B-3778,
Benzamide, 4-bromo-N-(2-hydroxyethyl)-3-methyl-,
I01-10752,
C10H12BrNO2,
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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 | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number