| CAS Number | 83419-48-1 |
| Catalog Number | AG004VJT(AGN-PC-0WABPK) |
| Chemical Name | 6'-(Trifluoromethyl)-spiro[cyclopropane-1,3'-[3H]indole]-2'(1'H)-one |
| IUPAC Name | 6-(trifluoromethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one |
| InChI | InChI=1S/C11H8F3NO/c12-11(13,14)6-1-2-7-8(5-6)15-9(16)10(7)3-4-10/h1-2,5H,3-4H2,(H,15,16) |
| InChI Key | CSJYICAUMKEQRH-UHFFFAOYSA-N |
| MDL Number | MFCD22375043 |
| Molecular Formula | C11H8F3NO |
| Molecular Weight | 227.1825 |
| SMILES | FC(F)(F)C1=CC=C2C(NC(=O)C22CC2)=C1 |
| Synonyms | 83419-48-1,
6'-(Trifluoromethyl)-spiro[cyclopropane-1,3'-[3H]indole]-2'(1'H)-one,
6'-(TRIFLUOROMETHYL)SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONE,
ACMC-209ps6,
CTK8B2381,
DTXSID10743097,
ANW-37684,
MFCD22375043,
ZINC85483154,
AKOS024438826,
AS-42563,
TC-126429,
V7905,
6'-(Trifluoromethyl)spiro[cyclopropane-1,3'-indol]-2'(1'H)-one,
C11H8F3NO,
6-(trifluoromethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.186g/mol |
| Monoisotopic Mass | 227.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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