| CAS Number | 915720-71-7 |
| Catalog Number | AG00IGRM(AGN-PC-0VT4H0) |
| Chemical Name | Carbamic acid, N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-, 1,1-dimethylethylester |
| IUPAC Name | tert-butyl N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]carbamate |
| InChI | InChI=1S/C12H17BrN2O2/c1-8(10-6-5-9(13)7-14-10)15-11(16)17-12(2,3)4/h5-8H,1-4H3,(H,15,16)/t8-/m0/s1 |
| InChI Key | KPRNIARBGGDHDZ-QMMMGPOBSA-N |
| MDL Number | MFCD29036411 |
| Molecular Formula | C12H17BrN2O2 |
| Molecular Weight | 301.1796 |
| SMILES | C[C@@H](c1ccc(cn1)Br)NC(=O)OC(C)(C)C |
| Synonyms | 915720-71-7,
(S)-tert-Butyl (1-(5-bromopyridin-2-yl)ethyl)carbamate,
AK174743,
tert-butyl (S)-(1-(5-bromopyridin-2-yl)ethyl)carbamate,
SCHEMBL16088895,
KPRNIARBGGDHDZ-QMMMGPOBSA-N,
1628807-11-3,
MFCD29036411,
AKOS025404815,
ZINC139735003,
DS-8912,
FCH4249976,
(S)-tert-butyl-1-(5-bromopyridin-2-yl)ethylcarbamate,
Carbamic acid, N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-, 1,1-dimethylethylester,
(S)-tert-butyl 1-(5-bromopyridin-2-yl)ethylcarbamate,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.184g/mol |
| Monoisotopic Mass | 300.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number