| CAS Number | 947170-99-2 |
| Catalog Number | AG00IIGS(AGN-PC-0WR81O) |
| Chemical Name | benzyl N-(4-bromophenyl)-N-methylcarbamate |
| IUPAC Name | benzyl N-(4-bromophenyl)-N-methylcarbamate |
| InChI | InChI=1S/C15H14BrNO2/c1-17(14-9-7-13(16)8-10-14)15(18)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChI Key | NXESLFSLVQXTFR-UHFFFAOYSA-N |
| MDL Number | MFCD29043969 |
| Molecular Formula | C15H14BrNO2 |
| Molecular Weight | 320.1812 |
| SMILES | CN(C1=CC=C(Br)C=C1)C(OCC1=CC=CC=C1)=O |
| Synonyms | BENZYL N-(4-BROMOPHENYL)-N-METHYLCARBAMATE,
947170-99-2,
ZINC261494003,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.186g/mol |
| Monoisotopic Mass | 319.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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