| CAS Number | 1240605-07-5 |
| Catalog Number | AG00HHJ3 |
| Chemical Name | 2-(5-Bromopyridin-3-YL)-2-methylpropan-1-OL |
| IUPAC Name | 2-(5-bromopyridin-3-yl)-2-methylpropan-1-ol |
| InChI | InChI=1S/C9H12BrNO/c1-9(2,6-12)7-3-8(10)5-11-4-7/h3-5,12H,6H2,1-2H3 |
| InChI Key | LDCHIDRQVQHFCA-UHFFFAOYSA-N |
| MDL Number | MFCD16988586 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CC(C1=CC(Br)=CN=C1)(CO)C |
| Synonyms | 2-(5-BROMOPYRIDIN-3-YL)-2-METHYLPROPAN-1-OL,
1240605-07-5,
SCHEMBL13725718,
LDCHIDRQVQHFCA-UHFFFAOYSA-N,
MFCD16988586,
ZINC91692729,
AS-39148,
DA-13812,
FT-0765035,
2-(5-bromo-3-pyridinyl)-2-methyl-1-propanol,
2-(5-bromo-pyridin-3-yl)-2-methyl-propan-1-ol,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number