| CAS Number | 1379342-51-4 |
| Catalog Number | AG00HV53(AGN-PC-0WQXTU) |
| Chemical Name | 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol |
| IUPAC Name | 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol |
| InChI | InChI=1S/C8H8BrNO/c9-6-3-5-1-2-7(11)8(5)10-4-6/h3-4,7,11H,1-2H2 |
| InChI Key | OKOCPAPHUOPWDC-UHFFFAOYSA-N |
| MDL Number | MFCD17014896 |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.0592 |
| SMILES | C1CC(C2=NC=C(C=C12)Br)O |
| Synonyms | 1379342-51-4,
3-BROMO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-7-OL,
3-bromo-5H,6H,7H-cyclopenta[b]pyridin-7-ol,
SCHEMBL14616897,
DTXSID90676975,
OKOCPAPHUOPWDC-UHFFFAOYSA-N,
MFCD17014896,
AKOS027251664,
AS-41772,
(rac)-3-Bromo-6,7-dihydro-5H-[1]pyrindin-7-ol,
S14-2013,
Z2096087693,
ACN-054557,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.062g/mol |
| Monoisotopic Mass | 212.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number