| CAS Number | 130723-14-7 |
| Catalog Number | AG009WVK(AGN-PC-0WNQJC) |
| Chemical Name | 3-Benzyloxy-5-bromobenzotrifluoride |
| IUPAC Name | 1-bromo-3-phenylmethoxy-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C14H10BrF3O/c15-12-6-11(14(16,17)18)7-13(8-12)19-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | UYBXRJFRUVREDM-UHFFFAOYSA-N |
| MDL Number | MFCD09955461 |
| Molecular Formula | C14H10BrF3O |
| Molecular Weight | 331.1278 |
| SMILES | c1(cc(cc(c1)OCc1ccccc1)Br)C(F)(F)F |
| Synonyms | 1-(Benzyloxy)-3-bromo-5-trifluoromethylbenzene,
130723-14-7,
3-Benzyloxy-5-bromobenzotrifluoride,
SCHEMBL9228037,
UYBXRJFRUVREDM-UHFFFAOYSA-N,
MFCD09955461,
ZINC21981713,
AKOS026672703,
3-benzyloxy-5-trifluoromethylbromobenzene,
Z0045,
Q-8481,
C14H10BrF3O,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.132g/mol |
| Monoisotopic Mass | 329.987g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
Lot Number