| CAS Number | 1352318-65-0 |
| Catalog Number | AG009WLD(AGN-PC-0WRACR) |
| Chemical Name | tert-Butyl N-[4-(3-cyanopyridin-2-yl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-[4-(3-cyanopyridin-2-yl)phenyl]carbamate |
| InChI | InChI=1S/C17H17N3O2/c1-17(2,3)22-16(21)20-14-8-6-12(7-9-14)15-13(11-18)5-4-10-19-15/h4-10H,1-3H3,(H,20,21) |
| InChI Key | QGJABBNRUXAGQR-UHFFFAOYSA-N |
| MDL Number | MFCD20529532 |
| Molecular Formula | C17H17N3O2 |
| Molecular Weight | 295.3358 |
| SMILES | N#Cc1cccnc1c1ccc(cc1)NC(=O)OC(C)(C)C |
| Synonyms | 1352318-65-0,
tert-Butyl N-[4-(3-cyanopyridin-2-yl)phenyl]carbamate,
tert-Butyl (4-(3-cyanopyridin-2-yl)phenyl)carbamate,
tert-Butyl [4-(3-cyanopyridin-2-yl)phenyl]carbamate,
ACMC-209bzo,
CTK8B0330,
DTXSID10718588,
ANW-19810,
MFCD20529532,
ZINC74938351,
AKOS027301610,
TC-108555,
Z9895,
B-9701,
QGJABBNRUXAGQR-UHFFFAOYSA-N,
C17H17N3O2,
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| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.342g/mol |
| Monoisotopic Mass | 295.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number