| CAS Number | 111991-15-2 |
| Catalog Number | AG009U6L(AGN-PC-05JDYF) |
| Chemical Name | 2-[2-(Trifluoromethyl)Phenyl]Oxirane |
| IUPAC Name | 2-[2-(trifluoromethyl)phenyl]oxirane |
| InChI | InChI=1S/C9H7F3O/c10-9(11,12)7-4-2-1-3-6(7)8-5-13-8/h1-4,8H,5H2 |
| InChI Key | OHLNNWAJIJAXDX-UHFFFAOYSA-N |
| MDL Number | MFCD09734108 |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.1465 |
| SMILES | FC(C1=C(C2OC2)C=CC=C1)(F)F |
| Synonyms | 2-[2-(trifluoromethyl)phenyl]oxirane,
111991-15-2,
Oxirane, [2-(trifluoromethyl)phenyl]-,
ACMC-20dxi8,
AC1Q4IMI,
SCHEMBL1498947,
CTK0G1622,
DTXSID50552180,
OHLNNWAJIJAXDX-UHFFFAOYSA-N,
2-(2-Trifluoromethyl-phenyl)oxirane,
AKOS000144953,
RT-008067,
EN300-52224,
J-002684,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.149g/mol |
| Monoisotopic Mass | 188.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number