| CAS Number | 1259078-16-4 |
| Catalog Number | AG009X1P(AGN-PC-0WACKF) |
| Chemical Name | Benzyl (4-Bromo-2-Fluorophenyl)Carbamate |
| IUPAC Name | benzyl N-(4-bromo-2-fluorophenyl)carbamate |
| InChI | InChI=1S/C14H11BrFNO2/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 | LLJQQOWOFLHSCH-UHFFFAOYSA-N |
| MDL Number | MFCD18088427 |
| Molecular Formula | C14H11BrFNO2 |
| Molecular Weight | 324.1450 |
| SMILES | BrC1=CC(=C(C=C1)NC(OCC1=CC=CC=C1)=O)F |
| Synonyms | Benzyl N-(4-bromo-2-fluorophenyl)carbamate,
1259078-16-4,
ZINC57353723,
Z9018,
C14H11BrFNO2,
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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 | 322.99572g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.14g/mol |
| Monoisotopic Mass | 322.99572g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number