| CAS Number | 490027-02-6 |
| Catalog Number | AG00DMW2(AGN-PC-0S1BZ3) |
| Chemical Name | 2-(4-Bromophenyl)-2-(pyrrolidin-1-yl)acetic acid |
| IUPAC Name | 2-(4-bromophenyl)-2-pyrrolidin-1-ylacetic acid |
| InChI | InChI=1S/C12H14BrNO2/c13-10-5-3-9(4-6-10)11(12(15)16)14-7-1-2-8-14/h3-6,11H,1-2,7-8H2,(H,15,16) |
| InChI Key | SQCJVKGBEMXJGU-UHFFFAOYSA-N |
| MDL Number | MFCD11974261 |
| Molecular Formula | C12H14BrNO2 |
| Molecular Weight | 284.1491 |
| SMILES | OC(C(C1=CC=C(Br)C=C1)N1CCCC1)=O |
| Synonyms | 490027-02-6,
2-(4-bromophenyl)-2-(pyrrolidin-1-yl)acetic acid,
(4-BROMO-PHENYL)-PYRROLIDIN-1-YL-ACETIC ACID,
MFCD11974261,
AKOS005265691,
MCULE-7688528172,
NE18851,
AS-40249,
ALPHA-(4-BROMOPHENYL)1-PYRROLIDINEACETIC ACID,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.153g/mol |
| Monoisotopic Mass | 283.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number