| CAS Number | 180912-08-7 |
| Catalog Number | AG00I0AE(AGN-PC-0WRA4S) |
| Chemical Name | 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine |
| IUPAC Name | 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine |
| InChI | InChI=1S/C12H14BrN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3 |
| InChI Key | ZLTVWHVXRJSJMU-UHFFFAOYSA-N |
| MDL Number | MFCD27946380 |
| Molecular Formula | C12H14BrN |
| Molecular Weight | 252.1503 |
| SMILES | CN1CCC(=CC1)c1ccc(cc1)Br |
| Synonyms | 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine,
180912-08-7,
SCHEMBL578138,
CHEMBL332131,
ZLTVWHVXRJSJMU-UHFFFAOYSA-N,
Pyridine, 4-(4-bromophenyl)-1,2,3,6-tetrahydro-1-methyl-,
ZINC13604473,
1-Methyl-4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine,
4-(4-bromophenyl)-1-methyl-1,2,3,6-tetrahydropyridine,
CID10634535,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.155g/mol |
| Monoisotopic Mass | 251.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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