| CAS Number | 581-90-8 |
| Catalog Number | AG01EWJ7(AGN-PC-0NBQ12) |
| Chemical Name | 2-(Trifluoromethyl)naphthalene |
| IUPAC Name | 2-(trifluoromethyl)naphthalene |
| InChI | InChI=1S/C11H7F3/c12-11(13,14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H |
| InChI Key | PKMYQFCVFSVGAT-UHFFFAOYSA-N |
| MDL Number | MFCD12546936 |
| Molecular Formula | C11H7F3 |
| Molecular Weight | 196.1685 |
| SMILES | C1=CC=C2C=CC(C(F)(F)F)=CC2=C1 |
| Synonyms | 2-(trifluoromethyl)naphthalene,
581-90-8,
Naphthalene, 2-(trifluoromethyl)-,
beta-Trifluoromethyl-naphthalene,
SCHEMBL1538767,
2-(trifluoromethyl)-naphthalene,
ss--(Trifluoromethyl)naphthalene,
CTK1F0320,
DTXSID80446043,
ZINC77011900,
AKOS005256328,
CID10856389,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.172g/mol |
| Monoisotopic Mass | 196.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number