| CAS Number | 1354448-68-2 |
| Catalog Number | AG009I5P(AGN-PC-0H0HE1) |
| Chemical Name | [1-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]carbamate |
| InChI | InChI=1S/C15H19ClF3N3O2/c1-14(2,3)24-13(23)21-10-4-5-22(8-10)12-11(16)6-9(7-20-12)15(17,18)19/h6-7,10H,4-5,8H2,1-3H3,(H,21,23) |
| InChI Key | UUMOFWWTPBHKQD-UHFFFAOYSA-N |
| MDL Number | MFCD20921630 |
| Molecular Formula | C15H19ClF3N3O2 |
| Molecular Weight | 365.7785 |
| SMILES | O=C(OC(C)(C)C)NC1CN(C2=NC=C(C(F)(F)F)C=C2Cl)CC1 |
| Synonyms | 1354448-68-2,
tert-Butyl (1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)carbamate,
[1-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester,
tert-butyl N-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}carbamate,
AKOS015993979,
FE-0702,
MCULE-6382401458,
ST2402023,
KS-00002533,
[1-(3-Chloro-5-trifluoromethylpyridin-2-yl)pyrrolidin-3-yl]carbamic acid tert-butyl ester,
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| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.781g/mol |
| Monoisotopic Mass | 365.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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