| CAS Number | 1033201-80-7 |
| Catalog Number | AG003MJK(AGN-PC-07XTUG) |
| Chemical Name | 5-Bromo-4-octylpyrimidine |
| IUPAC Name | 5-bromo-4-octylpyrimidine |
| InChI | InChI=1S/C12H19BrN2/c1-2-3-4-5-6-7-8-12-11(13)9-14-10-15-12/h9-10H,2-8H2,1H3 |
| InChI Key | GUCHBVFCLWVYAQ-UHFFFAOYSA-N |
| MDL Number | MFCD10699650 |
| Molecular Formula | C12H19BrN2 |
| Molecular Weight | 271.1967 |
| SMILES | CCCCCCCCc1ncncc1Br |
| Synonyms | 5-Bromo-4-octylpyrimidine,
1033201-80-7,
ACMC-20985x,
CTK4A1956,
DTXSID10674433,
ANW-14851,
MFCD10699650,
AKOS015834369,
ZINC100005582,
RTR-000761,
AX8243383,
TR-000761,
Z6617,
A-4247,
I03-798,
C12H19BrN2,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.202g/mol |
| Monoisotopic Mass | 270.073g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number