| CAS Number | 57728-66-2 |
| Catalog Number | AG00EBNC(AGN-PC-0KYPEL) |
| Chemical Name | 3-Bromo-N-(2-hydroxyethyl)benzamide |
| IUPAC Name | 3-bromo-N-(2-hydroxyethyl)benzamide |
| InChI | InChI=1S/C9H10BrNO2/c10-8-3-1-2-7(6-8)9(13)11-4-5-12/h1-3,6,12H,4-5H2,(H,11,13) |
| InChI Key | UEGSPYYXSPOOET-UHFFFAOYSA-N |
| MDL Number | MFCD01249209 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | C(NCCO)(=O)C1=CC=CC(Br)=C1 |
| Synonyms | 3-bromo-N-(2-hydroxyethyl)benzamide,
57728-66-2,
ACMC-1B0IE,
AC1MW10Z,
SCHEMBL1663227,
CTK5A7336,
DTXSID20395122,
ZINC5671009,
ANW-32786,
MFCD01249209,
N-(2-Hydroxyethyl)-m-bromobenzamide,
AKOS008929988,
AJ-54540,
CJ-12685,
TR-020130,
FT-0743485,
V6733,
I01-11154,
3-Bromo-N- benzamide,
C9H10BrNO2,
CID3692104,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number