| CAS Number | 1393442-41-5 |
| Catalog Number | AG009X2A(AGN-PC-0WAEGB) |
| Chemical Name | N-Boc-3-(4-bromo-2-fluorophenyl)propylamine |
| IUPAC Name | tert-butyl N-[3-(4-bromo-2-fluorophenyl)propyl]carbamate |
| InChI | InChI=1S/C14H19BrFNO2/c1-14(2,3)19-13(18)17-8-4-5-10-6-7-11(15)9-12(10)16/h6-7,9H,4-5,8H2,1-3H3,(H,17,18) |
| InChI Key | UWSXRHBKODKNQK-UHFFFAOYSA-N |
| MDL Number | MFCD22383755 |
| Molecular Formula | C14H19BrFNO2 |
| Molecular Weight | 332.2086 |
| SMILES | CC(OC(NCCCC1=C(F)C=C(Br)C=C1)=O)(C)C |
| Synonyms | N-BOC-3-(4-BROMO-2-FLUOROPHENYL)PROPYLAMINE,
1393442-41-5,
KM4035,
ZINC95495743,
V2948,
C14H19BrFNO2,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.213g/mol |
| Monoisotopic Mass | 331.058g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number