| CAS Number | 1250092-27-3 |
| Catalog Number | AG01BCVX(AGN-PC-0WOQ95) |
| Chemical Name | 2-(2-bromophenyl)-2-[(2-methoxyethyl)amino]acetic acid |
| IUPAC Name | 2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid |
| InChI | InChI=1S/C11H14BrNO3/c1-16-7-6-13-10(11(14)15)8-4-2-3-5-9(8)12/h2-5,10,13H,6-7H2,1H3,(H,14,15) |
| InChI Key | VVPZASJPEXKFIH-UHFFFAOYSA-N |
| MDL Number | MFCD16792973 |
| Molecular Formula | C11H14BrNO3 |
| Molecular Weight | 288.1378 |
| SMILES | COCCNC(C1=C(Br)C=CC=C1)C(O)=O |
| Synonyms | 2-(2-bromophenyl)-2-[(2-methoxyethyl)amino]acetic acid,
1250092-27-3,
(2-bromophenyl)[(2-methoxyethyl)amino]acetic acid,
MFCD16792973,
AKOS011831704,
MCULE-6719280190,
NE42528,
BS-12435,
Z1860991515,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.141g/mol |
| Monoisotopic Mass | 287.016g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number