3-Chloro-6,7-dimethoxyisoquinoline - CAS 58163-20-5
Catalog: |
BB029956 |
Product Name: |
3-Chloro-6,7-dimethoxyisoquinoline |
CAS: |
58163-20-5 |
Synonyms: |
3-chloro-6,7-dimethoxyisoquinoline; 3-chloro-6,7-dimethoxyisoquinoline |
IUPAC Name: | 3-chloro-6,7-dimethoxyisoquinoline |
Description: | 3-Chloro-6,7-dimethoxyisoquinoline (CAS# 58163-20-5) is a useful research chemical. |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | COC1=C(C=C2C=NC(=CC2=C1)Cl)OC |
InChI: | InChI=1S/C11H10ClNO2/c1-14-9-3-7-5-11(12)13-6-8(7)4-10(9)15-2/h3-6H,1-2H3 |
InChI Key: | UHNYGOXREGUUGH-UHFFFAOYSA-N |
LogP: | 2.90540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0400063 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Quinoline/Isoquinoline
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