8-Bromoisoquinolin-1(2H)-one - CAS 475994-60-6
Catalog: |
BB026348 |
Product Name: |
8-Bromoisoquinolin-1(2H)-one |
CAS: |
475994-60-6 |
Synonyms: |
8-bromo-2H-isoquinolin-1-one; 8-bromo-2H-isoquinolin-1-one |
IUPAC Name: | 8-bromo-2H-isoquinolin-1-one |
Description: | 8-Bromoisoquinolin-1(2H)-one (CAS# 475994-60-6) is a useful research chemical. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)C(=O)NC=C2 |
InChI: | InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-11-9(12)8(6)7/h1-5H,(H,11,12) |
InChI Key: | NQMZAFRCYDJSEU-UHFFFAOYSA-N |
Boiling Point: | 446.078 °C at 760 mmHg |
Density: | 1.62 g/cm3 |
MDL: | MFCD11858429 |
LogP: | 2.29060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020251974-A1 | Smarca inhibitors and uses thereof | 20190610 |
WO-2020210630-A1 | Tricyclic degraders of ikaros and aiolos | 20190412 |
CN-112074520-A | Tetracycloheteroaryl compounds | 20180508 |
TW-202012415-A | Chemical compound | 20180508 |
BR-112020021467-A2 | TETRACYCLIC HETEROARYL COMPOUNDS | 20180508 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Quinoline/Isoquinoline
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