| CAS Number | 872518-71-3 |
| Catalog Number | AG00GUAS(AGN-PC-0VBL1R) |
| Chemical Name | C-(5-bromo-7-chloro-2,3-dihydro-benzofuran-2-yl)-N-BOC-methylamine |
| IUPAC Name | tert-butyl N-[(5-bromo-7-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate |
| InChI | InChI=1S/C14H17BrClNO3/c1-14(2,3)20-13(18)17-7-10-5-8-4-9(15)6-11(16)12(8)19-10/h4,6,10H,5,7H2,1-3H3,(H,17,18) |
| InChI Key | KSVASNJLEZKGDF-UHFFFAOYSA-N |
| MDL Number | MFCD29472566 |
| Molecular Formula | C14H17BrClNO3 |
| Molecular Weight | 362.6467 |
| SMILES | O=C(OC(C)(C)C)NCC1OC2=C(Cl)C=C(Br)C=C2C1 |
| Synonyms | tert-Butyl ((5-bromo-7-chloro-2,3-dihydrobenzofuran-2-yl)methyl)carbamate,
872518-71-3,
SCHEMBL5809553,
KSVASNJLEZKGDF-UHFFFAOYSA-N,
CS-B1144,
tert-Butyl (5-bromo-7-chloro-2,3-dihydrobenzofuran-2-yl)methylcarbamate,
tert-butyl(5-bromo-7-chloro-2,3-dihydrobenzofuran-2-yl)methylcarbamate,
Carbamic acid,[(5-bromo-7-chloro-2,3-dihydro-2-benzofuranyl)methyl]-,1,1-dimethylethyl ester,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.00803g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.64g/mol |
| Monoisotopic Mass | 361.00803g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number