| CAS Number | 1015070-56-0 |
| Catalog Number | AG0004NC(AGN-PC-0BS6VN) |
| Chemical Name | 4-Isoquinolinol, 6-bromo- |
| IUPAC Name | 6-bromoisoquinolin-4-ol |
| InChI | InChI=1S/C9H6BrNO/c10-7-2-1-6-4-11-5-9(12)8(6)3-7/h1-5,12H |
| InChI Key | KXGSBBRPEPMUTK-UHFFFAOYSA-N |
| MDL Number | MFCD18257891 |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.0540 |
| SMILES | OC1=CN=CC2=C1C=C(Br)C=C2 |
| Synonyms | 6-bromoisoquinolin-4-ol,
1015070-56-0,
4-Isoquinolinol, 6-bromo-,
6-Bromo-4-hydroxyisoquinoline,
SCHEMBL1317103,
CTK3J9850,
DTXSID50721117,
KXGSBBRPEPMUTK-UHFFFAOYSA-N,
0403AA,
MFCD18257891,
ZINC71864267,
DS-7009,
FCH1365872,
AC-30491,
AK123454,
AJ-118916,
AX8247632,
C9H6BrNO,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.057g/mol |
| Monoisotopic Mass | 222.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number