| CAS Number | 841295-69-0 |
| Catalog Number | AG004ZJ3(AGN-PC-09PYUR) |
| Chemical Name | Methyl 4-(4-bromophenyl)piperazine-1-carboxylate |
| IUPAC Name | methyl 4-(4-bromophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C12H15BrN2O2/c1-17-12(16)15-8-6-14(7-9-15)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3 |
| InChI Key | CJOUHUJVGDNKFT-UHFFFAOYSA-N |
| MDL Number | MFCD16036098 |
| Molecular Formula | C12H15BrN2O2 |
| Molecular Weight | 299.1637 |
| SMILES | COC(=O)N1CCN(CC1)c1ccc(cc1)Br |
| Synonyms | METHYL 4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE,
841295-69-0,
ACMC-209ptv,
CTK5F1858,
DTXSID90681468,
ANW-37745,
MFCD16036098,
ZINC65336822,
AKOS015835655,
CJ-20994,
AJ-114886,
AX8229483,
ST2407227,
TR-037957,
V7920,
B-4042,
I13-366,
C12H15BrN2O2,
Methyl4-(4-bromophenyl)piperazine-1-carboxylate,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.168g/mol |
| Monoisotopic Mass | 298.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number