| CAS Number | 1132910-79-2 |
| Catalog Number | AG00HCOS(AGN-PC-0WAN3J) |
| Chemical Name | tert-Butyl (2-(5-(trifluoromethyl)-1H-indol-3-yl)ethyl)carbamate |
| IUPAC Name | tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate |
| InChI | InChI=1S/C16H19F3N2O2/c1-15(2,3)23-14(22)20-7-6-10-9-21-13-5-4-11(8-12(10)13)16(17,18)19/h4-5,8-9,21H,6-7H2,1-3H3,(H,20,22) |
| InChI Key | LIDUAVFHEXFKOH-UHFFFAOYSA-N |
| MDL Number | MFCD22571658 |
| Molecular Formula | C16H19F3N2O2 |
| Molecular Weight | 328.3295 |
| SMILES | CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)C(F)(F)F |
| Synonyms | 1132910-79-2,
tert-Butyl (2-(5-(trifluoromethyl)-1H-indol-3-yl)ethyl)carbamate,
AK137260,
tert-Butyl {2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl}carbamate,
DTXSID70856672,
MFCD22571658,
ZINC95616875,
[2-(5-Trifluoromethyl-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester,
AKOS022171609,
DS-5813,
AM807951,
AJ-132823,
AX8258828,
tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate,
[2-(5-trifluoromethyl-1h-indol-3-yl)ethyl]carbamic acid tert-butyl ester,
LIDUAVFHEXFKOH-UHFFFAOYSA-N,
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| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.335g/mol |
| Monoisotopic Mass | 328.14g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number