| CAS Number | 1337882-50-4 |
| Catalog Number | AG00A010(AGN-PC-0HV0UY) |
| Chemical Name | 6-(Benzyloxy)-3-bromoquinoline |
| IUPAC Name | 3-bromo-6-phenylmethoxyquinoline |
| InChI | InChI=1S/C16H12BrNO/c17-14-8-13-9-15(6-7-16(13)18-10-14)19-11-12-4-2-1-3-5-12/h1-10H,11H2 |
| InChI Key | QKLMSBGPZMYOMF-UHFFFAOYSA-N |
| MDL Number | MFCD22380361 |
| Molecular Formula | C16H12BrNO |
| Molecular Weight | 314.1766 |
| SMILES | BrC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N=C1 |
| Synonyms | 6-(Benzyloxy)-3-bromoquinoline,
1337882-50-4,
3-bromo-6-phenylmethoxyquinoline,
6-Benzyloxy-3-bromo-quinoline,
SCHEMBL12470770,
DTXSID40738193,
QKLMSBGPZMYOMF-UHFFFAOYSA-N,
6120AA,
MFCD22380361,
RW3148,
ZINC91297540,
FCH2877818,
QC-2373,
AS-40942,
AB0092020,
AJ-129488,
AX8246194,
C16H12BrNO,
6-(benzyloxy)-3-bromoquinoline, 95% - 1G 1g,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.182g/mol |
| Monoisotopic Mass | 313.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number