| CAS Number | 1407521-96-3 |
| Catalog Number | AG001CQT(AGN-PC-0WB0S8) |
| Chemical Name | methyl 5-(trifluoromethyl)-1-benzofuran-2-carboxylate |
| IUPAC Name | methyl 5-(trifluoromethyl)-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C11H7F3O3/c1-16-10(15)9-5-6-4-7(11(12,13)14)2-3-8(6)17-9/h2-5H,1H3 |
| InChI Key | WZONWKOVXOPEAI-UHFFFAOYSA-N |
| MDL Number | MFCD22573538 |
| Molecular Formula | C11H7F3O3 |
| Molecular Weight | 244.1667 |
| SMILES | O=C(C1=CC2=CC(C(F)(F)F)=CC=C2O1)OC |
| Synonyms | methyl 5-(trifluoromethyl)-1-benzofuran-2-carboxylate,
1407521-96-3,
Methyl 5-(trifluoromethyl)benzofuran-2-carboxylate,
SCHEMBL17161458,
WZONWKOVXOPEAI-UHFFFAOYSA-N,
KS-000027KG,
ZX-AP010952,
4186AD,
MFCD22573538,
ZINC81213613,
AKOS015996902,
LG-0731,
MCULE-9597489449,
PC200023,
SC-31494,
2-Benzofurancarboxylic acid,5-(trifluoromethyl)-,m,
C11H7F3O3,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.169g/mol |
| Monoisotopic Mass | 244.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number