| CAS Number | 1447607-03-5 |
| Catalog Number | AG00AS0L(AGN-PC-0JK1YP) |
| Chemical Name | tert-butyl 8-(trifluoromethyl)quinolin-3-ylcarbamate |
| IUPAC Name | tert-butyl N-[8-(trifluoromethyl)quinolin-3-yl]carbamate |
| InChI | InChI=1S/C15H15F3N2O2/c1-14(2,3)22-13(21)20-10-7-9-5-4-6-11(15(16,17)18)12(9)19-8-10/h4-8H,1-3H3,(H,20,21) |
| InChI Key | NPAIGTZVTGJVCZ-UHFFFAOYSA-N |
| MDL Number | MFCD25542360 |
| Molecular Formula | C15H15F3N2O2 |
| Molecular Weight | 312.2870 |
| SMILES | O=C(OC(C)(C)C)NC1=CC2=CC=CC(C(F)(F)F)=C2N=C1 |
| Synonyms | 1447607-03-5,
tert-Butyl (8-(trifluoromethyl)quinolin-3-yl)carbamate,
TERT-BUTYL 8-(TRIFLUOROMETHYL)QUINOLIN-3-YLCARBAMATE,
tert-butyl N-[8-(trifluoromethyl)quinolin-3-yl]carbamate,
MFCD25542360,
ZINC95802888,
AKOS025146698,
AK164674,
AS-41975,
QC-11531,
SC-68494,
tert-butyl 8-(trifluoromethyl)quinolin-3-ylcarbama,
4-Chloro-7,8-difluoroquinoline,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.292g/mol |
| Monoisotopic Mass | 312.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^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