| CAS Number | 1227576-08-0 |
| Catalog Number | AG000JC8(AGN-PC-0WCT41) |
| Chemical Name | Pyridine, 3-(bromomethyl)-2-methoxy-5-(trifluoromethyl)- |
| IUPAC Name | 3-(bromomethyl)-2-methoxy-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C8H7BrF3NO/c1-14-7-5(3-9)2-6(4-13-7)8(10,11)12/h2,4H,3H2,1H3 |
| InChI Key | JQRHSRBXDHBCPM-UHFFFAOYSA-N |
| MDL Number | MFCD16610204 |
| Molecular Formula | C8H7BrF3NO |
| Molecular Weight | 270.0465 |
| SMILES | BrCC=1C(=NC=C(C1)C(F)(F)F)OC |
| Synonyms | 3-(Bromomethyl)-2-methoxy-5-(trifluoromethyl)pyridine,
1227576-08-0,
3-bromomethyl-2-methoxy-5-(trifluoromethyl)pyridine,
MFCD16610204,
ZINC238401506,
FCH1344560,
SB21266,
KS-000008I6,
AS-53041,
CS-0051712,
Pyridine, 3-(bromomethyl)-2-methoxy-5-(trifluoromethyl)-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.049g/mol |
| Monoisotopic Mass | 268.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number