| CAS Number | 98420-99-6 |
| Catalog Number | AG00IK2X(AGN-PC-00MT2E) |
| Chemical Name | Pyridine, 4-bromo-2-propyl- |
| IUPAC Name | 4-bromo-2-propylpyridine |
| InChI | InChI=1S/C8H10BrN/c1-2-3-8-6-7(9)4-5-10-8/h4-6H,2-3H2,1H3 |
| InChI Key | WYLAQZLXZDHAED-UHFFFAOYSA-N |
| MDL Number | MFCD11869603 |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.0757 |
| SMILES | CCCC1=NC=CC(Br)=C1 |
| Synonyms | 4-bromo-2-propylpyridine,
98420-99-6,
4-bromo-2-n-propylpyridine,
SCHEMBL539420,
Pyridine, 4-bromo-2-propyl-,
DTXSID00542253,
WYLAQZLXZDHAED-UHFFFAOYSA-N,
MFCD11869603,
ZINC44118284,
AKOS015945567,
FCH1407306,
RL06114,
AB0049969,
AJ-109187,
AX8253044,
4CH-005394,
CS-0038070,
J-514691,
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| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.079g/mol |
| Monoisotopic Mass | 199g/mol |
| Rotatable Bond Count | 2 |
| 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