| CAS Number | 1218475-73-0 |
| Catalog Number | AG01A90X(AGN-PC-0WOQB9) |
| Chemical Name | 2-(3,4-Dichlorophenyl)-2-(methylamino)acetic acid |
| IUPAC Name | 2-(3,4-dichlorophenyl)-2-(methylamino)acetic acid |
| InChI | InChI=1S/C9H9Cl2NO2/c1-12-8(9(13)14)5-2-3-6(10)7(11)4-5/h2-4,8,12H,1H3,(H,13,14) |
| InChI Key | GWDRVMZGPSUTQH-UHFFFAOYSA-N |
| MDL Number | MFCD12047908 |
| Molecular Formula | C9H9Cl2NO2 |
| Molecular Weight | 234.0793 |
| SMILES | CNC(C1=CC(Cl)=C(Cl)C=C1)C(O)=O |
| Synonyms | 2-(3,4-dichlorophenyl)-2-(methylamino)acetic acid,
1218475-73-0,
(3,4-dichlorophenyl)(methylamino)acetic acid,
AC1Q40RR,
MFCD12047908,
AKOS009942194,
MCULE-2777130654,
NE45201,
BS-12156,
EN300-63922,
Z993967154,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.076g/mol |
| Monoisotopic Mass | 233.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number