1,7-Dichloro-4-methoxyisoquinoline - CAS 630423-36-8
Catalog: |
BB042558 |
Product Name: |
1,7-Dichloro-4-methoxyisoquinoline |
CAS: |
630423-36-8 |
Synonyms: |
Isoquinoline, 1,7-dichloro-4-methoxy-; AK185761; SCHEMBL883238 |
IUPAC Name: | 1,7-dichloro-4-methoxyisoquinoline |
Description: | 1,7-Dichloro-4-methoxyisoquinoline (CAS# 630423-36-8 ) is a useful research chemical. |
Molecular Weight: | 228.07 |
Molecular Formula: | C10H7Cl2NO |
Canonical SMILES: | COC1=CN=C(C2=C1C=CC(=C2)Cl)Cl |
InChI: | InChI=1S/C10H7Cl2NO/c1-14-9-5-13-10(12)8-4-6(11)2-3-7(8)9/h2-5H,1H3 |
InChI Key: | HOBCGPSQZNVUSJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (66.67%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.9904692 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.9904692 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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