| CAS Number | 1203686-59-2 |
| Catalog Number | AG008Z3J(AGN-PC-0WD2NT) |
| Chemical Name | 1H-Isoindole, 2,3-dihydro-4-(trifluoromethyl)-, hydrochloride |
| IUPAC Name | 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride |
| InChI | InChI=1S/C9H8F3N.ClH/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8;/h1-3,13H,4-5H2;1H |
| InChI Key | XTPDOTXDUZRPAQ-UHFFFAOYSA-N |
| MDL Number | MFCD10700141 |
| Molecular Formula | C9H9ClF3N |
| Molecular Weight | 223.6227 |
| SMILES | FC(C1=CC=CC2=C1CNC2)(F)F.[H]Cl |
| Synonyms | 4-(Trifluoromethyl)isoindoline hydrochloride,
1203686-59-2,
4-(TRIFLUOROMETHYL)ISOINDOLINE HCL,
SCHEMBL2657655,
KS-00000RLF,
DTXSID10737370,
MFCD10700141,
AKOS022185362,
DS-4845,
AK134861,
AX8256669,
X-3071,
1H-Isoindole, 2,3-dihydro-4-(trifluoromethyl)-, hydrochloride,
4-(Trifluoromethyl)-2,3-dihydro-1H-isoindole--hydrogen chloride (1/1),
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.623g/mol |
| Monoisotopic Mass | 223.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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