| CAS Number | 913542-81-1 |
| Catalog Number | AG00IGM5 |
| Chemical Name | Fmoc-4-(4-bromophenyl)-piperidine-4-carboxylic acid |
| IUPAC Name | 4-(4-bromophenyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C27H24BrNO4/c28-19-11-9-18(10-12-19)27(25(30)31)13-15-29(16-14-27)26(32)33-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,24H,13-17H2,(H,30,31) |
| InChI Key | LXVOLEMRWXWNPG-UHFFFAOYSA-N |
| MDL Number | MFCD11226815 |
| Molecular Formula | C27H24BrNO4 |
| Molecular Weight | 506.3878 |
| SMILES | OC(C1(C2=CC=C(Br)C=C2)CCN(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CC1)=O |
| Synonyms | FMOC-4-(4-BROMOPHENYL)-PIPERIDINE-4-CARBOXYLIC ACID,
913542-81-1,
SCHEMBL3015079,
LXVOLEMRWXWNPG-UHFFFAOYSA-N,
6766AH,
MFCD11226815,
ZINC39959777,
AKOS027439832,
A-8364,
Fmoc-4-(4-bromophenyl)-piperidine-4-carboxylic acid, AldrichCPR,
4-(4-bromo-phenyl)-piperidine-1,4-dicarboxylic acid mono-(9H-fluoren-9-ylmethyl) ester,
4-(4-Bromophenyl)piperidine-1,4-dicarboxylic acid 1-(9H-fluorene-9-ylmethyl) ester,
C27H24BrNO4,
1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-(4-bromophenyl)piperidine-4-carboxylic acid,
|
| Complexity | 691 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 505.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 506.396g/mol |
| Monoisotopic Mass | 505.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number