| CAS Number | 1249593-20-1 |
| Catalog Number | AG00HHUW(AGN-PC-0WNOQJ) |
| Chemical Name | 2-[(4-Bromo-2-nitrophenyl)(methyl)amino]ethanol |
| IUPAC Name | 2-(4-bromo-N-methyl-2-nitroanilino)ethanol |
| InChI | InChI=1S/C9H11BrN2O3/c1-11(4-5-13)8-3-2-7(10)6-9(8)12(14)15/h2-3,6,13H,4-5H2,1H3 |
| InChI Key | FJVONVWURLPBSR-UHFFFAOYSA-N |
| MDL Number | MFCD14586990 |
| Molecular Formula | C9H11BrN2O3 |
| Molecular Weight | 275.0992 |
| SMILES | OCCN(c1ccc(cc1[N+](=O)[O-])Br)C |
| Synonyms | 2-[(4-Bromo-2-nitrophenyl)(methyl)amino]ethanol,
1249593-20-1,
2-((4-bromo-2-nitrophenyl)(methyl)amino)ethanol,
SCHEMBL595478,
FJVONVWURLPBSR-UHFFFAOYSA-N,
ZINC40418940,
AKOS009016419,
SY129423,
MFCD14586990 (95%),
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.102g/mol |
| Monoisotopic Mass | 273.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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