| CAS Number | 1214126-90-5 |
| Catalog Number | AG00J1EM(AGN-PC-0WB7BM) |
| Chemical Name | (dimethylamino)(3-fluorophenyl)acetic acid hydrochloride |
| IUPAC Name | 2-(dimethylamino)-2-(3-fluorophenyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C10H12FNO2.ClH/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7;/h3-6,9H,1-2H3,(H,13,14);1H |
| InChI Key | OCTKRZXORYYRHO-UHFFFAOYSA-N |
| MDL Number | MFCD11841270 |
| Molecular Formula | C10H13ClFNO2 |
| Molecular Weight | 233.6671 |
| SMILES | C1(=CC=CC(F)=C1)C(N(C)C)C(O)=O.Cl |
| Synonyms | 1214126-90-5,
(Dimethylamino)(3-fluorophenyl)acetic acid hydrochloride,
ZX-CM004107,
MFCD11841270,
AKOS027426159,
4013380-25G,
4013380-50G,
4013380-100G,
2-(Dimethylamino)-2-(3-fluorophenyl)acetic acid hydrochloride,
(Dimethylamino)(3-fluorophenyl)acetic acid hydrochloride, AldrichCPR,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.667g/mol |
| Monoisotopic Mass | 233.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number