| CAS Number | 1820706-58-8 |
| Catalog Number | AG00I0Y2 |
| Chemical Name | N-(Benzyloxycarbonyl)-5-bromo-2-methylaniline |
| IUPAC Name | benzyl N-(5-bromo-2-methylphenyl)carbamate |
| InChI | InChI=1S/C15H14BrNO2/c1-11-7-8-13(16)9-14(11)17-15(18)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18) |
| InChI Key | ZRMDEDYAJQNDHH-UHFFFAOYSA-N |
| MDL Number | MFCD25953940 |
| Molecular Formula | C15H14BrNO2 |
| Molecular Weight | 320.1812 |
| SMILES | CC1=C(NC(OCC2=CC=CC=C2)=O)C=C(Br)C=C1 |
| Synonyms | Benzyl (5-bromo-2-methylphenyl)carbamate,
1820706-58-8,
N-(Benzyloxycarbonyl)-5-bromo-2-methylaniline,
ZINC95496141,
Y2954,
C15H14BrNO2,
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| Complexity | 292 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.186g/mol |
| Monoisotopic Mass | 319.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number