| CAS Number | 1259064-47-5 |
| Catalog Number | AG009X1O(AGN-PC-0WACKE) |
| Chemical Name | Benzyl N-(4-bromo-2-chlorophenyl)carbamate |
| IUPAC Name | benzyl N-(4-bromo-2-chlorophenyl)carbamate |
| InChI | InChI=1S/C14H11BrClNO2/c15-11-6-7-13(12(16)8-11)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18) |
| InChI Key | OBPQJTHMZBDDNQ-UHFFFAOYSA-N |
| MDL Number | MFCD18088428 |
| Molecular Formula | C14H11BrClNO2 |
| Molecular Weight | 340.5996 |
| SMILES | O=C(OCC1=CC=CC=C1)NC2=CC=C(Br)C=C2Cl |
| Synonyms | Benzyl N-(4-bromo-2-chlorophenyl)carbamate,
1259064-47-5,
ZINC57353724,
Z9017,
C14H11BrClNO2,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.601g/mol |
| Monoisotopic Mass | 338.966g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number