3-Bromo-4-hydroxy-8-methoxyquinoline - CAS 1204811-42-6
Catalog: |
BB004893 |
Product Name: |
3-Bromo-4-hydroxy-8-methoxyquinoline |
CAS: |
1204811-42-6 |
Synonyms: |
3-bromo-8-methoxy-1H-quinolin-4-one |
IUPAC Name: | 3-bromo-8-methoxy-1H-quinolin-4-one |
Description: | 3-Bromo-4-hydroxy-8-methoxyquinoline (CAS# 1204811-42-6) is a useful research chemical. |
Molecular Weight: | 254.08 |
Molecular Formula: | C10H8BrNO2 |
Canonical SMILES: | COC1=CC=CC2=C1NC=C(C2=O)Br |
InChI: | InChI=1S/C10H8BrNO2/c1-14-8-4-2-3-6-9(8)12-5-7(11)10(6)13/h2-5H,1H3,(H,12,13) |
InChI Key: | JJQYYRCPHOZXKS-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 2.29920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.97384 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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