| CAS Number | 903557-31-3 |
| Catalog Number | AG01DU6D |
| Chemical Name | Carbamic acid, N-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[(1S)-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)/t12-/m0/s1 |
| InChI Key | LFSNVJDYBBIPHH-LBPRGKRZSA-N |
| MDL Number | MFCD29058911 |
| Molecular Formula | C14H18BrNO2 |
| Molecular Weight | 312.2022 |
| SMILES | BrC=1C=C2CC[C@@H](C2=CC1)NC(OC(C)(C)C)=O |
| Synonyms | 903557-31-3,
(S)-tert-Butyl (5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate,
SCHEMBL8180722,
LFSNVJDYBBIPHH-LBPRGKRZSA-N,
ZINC168545971,
((S)-5-Bromo-indan-1-yl)-carbamic acid tert-butyl ester,
Carbamic acid, N-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number