| CAS Number | 918305-73-4 |
| Catalog Number | AG00H29W(AGN-PC-0VW5KR) |
| Chemical Name | tert-butyl ((1R,2S)-2-(6-bromopyridin-3-yl)cyclopropyl)carbamate |
| IUPAC Name | tert-butyl N-[(1S,2R)-2-(6-bromopyridin-3-yl)cyclopropyl]carbamate |
| InChI | InChI=1S/C13H17BrN2O2/c1-13(2,3)18-12(17)16-10-6-9(10)8-4-5-11(14)15-7-8/h4-5,7,9-10H,6H2,1-3H3,(H,16,17)/t9-,10+/m1/s1 |
| InChI Key | JHMPRBHRNWAIBF-ZJUUUORDSA-N |
| MDL Number | MFCD30721391 |
| Molecular Formula | C13H17BrN2O2 |
| Molecular Weight | 313.1903 |
| SMILES | CC(OC(N[C@H]1[C@H](C2=CN=C(Br)C=C2)C1)=O)(C)C |
| Synonyms | tert-butyl N-[(1S,2R)-rel-2-(6-bromopyridin-3-yl)cyclopropyl]carbamate,
918305-73-4,
tert-butyl ((1R,2S)-2-(6-bromopyridin-3-yl)cyclopropyl)carbamate,
tert-Butyl ((1S,2R)-2-(6-bromopyridin-3-yl)cyclopropyl)carbamate,
SCHEMBL14885516,
ZINC145528893,
AS-53637,
CS-0048031,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.04734g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.19g/mol |
| Monoisotopic Mass | 312.04734g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number