| CAS Number | 924818-01-9 |
| Catalog Number | AG003D2D(AGN-PC-04Q6O2) |
| Chemical Name | tert-butyl (3-bromo-1-(4-methoxyphenyl)propyl)carbamate |
| IUPAC Name | tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate |
| InChI | InChI=1S/C15H22BrNO3/c1-15(2,3)20-14(18)17-13(9-10-16)11-5-7-12(19-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,18) |
| InChI Key | SVVVYYWYCSWULE-UHFFFAOYSA-N |
| MDL Number | MFCD06410617 |
| Molecular Formula | C15H22BrNO3 |
| Molecular Weight | 344.2441 |
| SMILES | COC1=CC=C(C=C1)C(CCBr)NC(=O)OC(C)(C)C |
| Synonyms | 924818-01-9,
1-(BOC-AMINO)-3-BROMO-1-(4-METHOXYPHENYL)PROPANE,
tert-Butyl (3-bromo-1-(4-methoxyphenyl)propyl)carbamate,
C15H22BrNO3,
KS-00000EBV,
4981AJ,
KM3105,
MFCD06410617,
AKOS022184091,
AB24741,
TRA0058154,
AS-32135,
SY016247,
AX8268853,
DB-021551,
TC-306595,
FT-0720836,
MFCD06410617 (95%),
tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate,
1206979-33-0,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.249g/mol |
| Monoisotopic Mass | 343.078g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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