| CAS Number | 1198284-74-0 |
| Catalog Number | AG008TTH(AGN-PC-0WAF8E) |
| Chemical Name | tert-Butyl 4-(5-chloro-1H-indazol-3-yl)piperidin-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-chloro-2H-indazol-3-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H22ClN3O2/c1-17(2,3)23-16(22)21-8-6-11(7-9-21)15-13-10-12(18)4-5-14(13)19-20-15/h4-5,10-11H,6-9H2,1-3H3,(H,19,20) |
| InChI Key | DFBFBODVZGLTNT-UHFFFAOYSA-N |
| MDL Number | MFCD12912623 |
| Molecular Formula | C17H22ClN3O2 |
| Molecular Weight | 335.8285 |
| SMILES | ClC=1C=C2C(=NNC2=CC1)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(5-chloro-1H-indazol-3-yl)piperidine-1-carboxylate,
1198284-74-0,
C17H22ClN3O2,
W-205057,
tert-butyl 4-(5-chloro-2H-indazol-3-yl)piperidine-1-carboxylate,
DTXSID40678106,
0789AD,
MFCD12912623,
ZINC72194188,
AKOS015949439,
CS-W001323,
RP07939,
AK270486,
FT-0685076,
1-Boc-4-(5-chloro-1H-indazol-3-yl)piperidine,
J-524640,
t-Butyl 4-(5-chloro-1H-indazol-3-yl)piperidine-1-carboxylate,
tert-Butyl 4-(5-chloro-1H-indazol-3-yl)piperidin-1-carboxylate,
DFBFBODVZGLTNT-UHFFFAOYSA-N,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.832g/mol |
| Monoisotopic Mass | 335.14g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number