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3-(Trifluoromethoxy)phenylacetonitrile
Phân loại: Reagent
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 108307-56-8 |
| Catalog Number | AG003BAI(AGN-PC-0JS82L) |
| Chemical Name | 3-(Trifluoromethoxy)phenylacetonitrile |
| IUPAC Name | 2-[3-(trifluoromethoxy)phenyl]acetonitrile |
| InChI | InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2 |
| InChI Key | WZLPHJZVNJXHPV-UHFFFAOYSA-N |
| MDL Number | MFCD00061272 |
| Molecular Formula | C9H6F3NO |
| Molecular Weight | 201.1452 |
| SMILES | N#CCc1cccc(c1)OC(F)(F)F |
| Synonyms |
3-(Trifluoromethoxy)phenylacetonitrile, 108307-56-8, 3-(trifluoromethoxy)benzyl cyanide, 2-[3-(trifluoromethoxy)phenyl]acetonitrile, 3-trifluoromethoxybenzyl cyanide, (3-Trifluoromethoxyphenyl)acetonitrile, 2-(3-(trifluoromethoxy)phenyl)acetonitrile, WZLPHJZVNJXHPV-UHFFFAOYSA-N, 3-Trifluoromethoxyphenylacetonitrile, MFCD00061272, Benzeneacetonitrile, 3-(trifluoromethoxy)-, 2-[3-(trifluoromethoxy)phenyl]ethanenitrile, AC1LAPLW, AC1Q4KE0, ACMC-1C8L9, 3-trifluoromethoxybenzylcyanide, SCHEMBL102840, CTK3J4671, KS-00000YTU, DTXSID20333746, PC7440G, ZINC156333, JRD-0089, ZX-AP001204, ANW-74592, CK1024, SBB092728, AKOS015853154, AS01728, FCH1321135, MCULE-2559960370, PS-8202, RP25846, RTR-001928, AJ-13772, AK-42897, AN-33746, CC-12774, SC-54293, ZB006295, AB0030467, AX8011506, TR-001928, CS-0059233, FT-0613908, ST24041688, ST50407059, X2665, EN300-260066, Y-9041, C-09593, J-511011, I14-29610, C9H6F3NO, CID517906, ZINC00156333, |
CHI TIẾT :
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.148g/mol |
| Monoisotopic Mass | 201.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
| Hazard statements | H301-H312-H315-H319-H332-H335 |
| Precuationary statements | P261-P280-P301+P310-P305+P351+P338 |
| Siginal words |