| CAS Number | 903555-98-6 |
| Catalog Number | AG01DU6C |
| Chemical Name | Carbamic acid, [(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate |
| InChI | InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-4-9-8-10(15)5-6-11(9)12/h5-6,8,12H,4,7H2,1-3H3,(H,16,17) |
| InChI Key | LFSNVJDYBBIPHH-UHFFFAOYSA-N |
| MDL Number | MFCD29058912 |
| Molecular Formula | C14H18BrNO2 |
| Molecular Weight | 312.2022 |
| SMILES | BrC=1C=C2CC[C@H](C2=CC1)NC(OC(C)(C)C)=O |
| Synonyms | tert-butyl (5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate,
903555-95-3,
(R)-tert-Butyl (5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate,
903555-98-6,
SCHEMBL5269808,
LFSNVJDYBBIPHH-UHFFFAOYSA-N,
MFCD24393247,
AKOS027329603,
AS-36609,
tert-butyl N-(5-bromoindan-1-yl)carbamate,
t-Butyl (5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate,
tert-butyl (5-bromo-2,3-dihydro-1H-inden-1-yl)-carbamate,
tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate,
(S)-tert-Butyl (5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate,
903557-31-3,
|
| 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 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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