| CAS Number | 847349-87-5 |
| Catalog Number | AG00IDF5(AGN-PC-0WOJGW) |
| Chemical Name | 2-(Benzyloxy)-5-bromo-4-picoline |
| IUPAC Name | 5-bromo-4-methyl-2-phenylmethoxypyridine |
| InChI | InChI=1S/C13H12BrNO/c1-10-7-13(15-8-12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChI Key | WMUZAUDQWAGJKI-UHFFFAOYSA-N |
| MDL Number | MFCD22056739 |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.1445 |
| SMILES | C(C1=CC=CC=C1)OC1=NC=C(C(=C1)C)Br |
| Synonyms | 2-(Benzyloxy)-5-bromo-4-methylpyridine,
847349-87-5,
2-(Benzyloxy)-5-bromo-4-picoline,
SCHEMBL2470292,
WMUZAUDQWAGJKI-UHFFFAOYSA-N,
ZINC90413433,
2-benzyloxy-5-bromo-4-methylpyridine,
AKOS026673828,
Z0877,
Q-7536,
C13H12BrNO,
Pyridine, 5-bromo-4-methyl-2-(phenylmethoxy),
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.149g/mol |
| Monoisotopic Mass | 277.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number