| CAS Number | 917396-30-6 |
| Catalog Number | AG006Q1H(AGN-PC-0D568N) |
| Chemical Name | 3-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine |
| IUPAC Name | 3-(bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C8H7BrF3N/c1-5-6(4-9)2-3-7(13-5)8(10,11)12/h2-3H,4H2,1H3 |
| InChI Key | UBILXBRMQFSGML-UHFFFAOYSA-N |
| MDL Number | MFCD12923135 |
| Molecular Formula | C8H7BrF3N |
| Molecular Weight | 254.0471 |
| SMILES | CC1=C(CBr)C=CC(C(F)(F)F)=N1 |
| Synonyms | 917396-30-6,
3-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine,
Pyridine, 3-(bromomethyl)-2-methyl-6-(trifluoromethyl)-,
3-Bromomethyl-2-methyl-6-trifluoromethyl-pyridine,
3-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridin,
SCHEMBL4484041,
CTK3I0478,
DTXSID70733151,
UBILXBRMQFSGML-UHFFFAOYSA-N,
MFCD12923135,
ZINC44676224,
AS-8701,
AJ-109904,
3-Bromomethyl-2-methyl-6-trifluoromethylpyridine,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.05g/mol |
| Monoisotopic Mass | 252.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number