| CAS Number | 322692-47-7 |
| Catalog Number | AG01BVUG |
| Chemical Name | tert-Butyl N-(5-bromo-2,3-dihydro-1H-inden-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-2-yl)carbamate |
| InChI | InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12H,7-8H2,1-3H3,(H,16,17) |
| InChI Key | OZFRRBAQUPMUJA-UHFFFAOYSA-N |
| MDL Number | MFCD16987838 |
| Molecular Formula | C14H18BrNO2 |
| Molecular Weight | 312.2022 |
| SMILES | BrC=1C=C2CC(CC2=CC1)NC(OC(C)(C)C)=O |
| Synonyms | 322692-47-7,
tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-2-yl)carbamate,
tert-butyl 5-bromo-2,3-dihydro-1H-inden-2-ylcarbamate,
SCHEMBL1545004,
OZFRRBAQUPMUJA-UHFFFAOYSA-N,
AKOS033982905,
N-Boc-2-amino-5-bromo-2,3-dihydro-1H-indene,
Z2692095051,
1,1-dimethylethyl (5-bromo-2,3-dihydro-1H-inden-2-yl)carbamate,
Carbamic acid, N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-, 1,1-dimethylethyl ester,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.207g/mol |
| Monoisotopic Mass | 311.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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