3-Chloroisoquinoline-4-carbaldehyde - CAS 120285-29-2
Catalog: |
BB070230 |
Product Name: |
3-Chloroisoquinoline-4-carbaldehyde |
CAS: |
120285-29-2 |
Synonyms: |
3-Chloro-4-isoquinolinecarboxaldehyde; 3-Chloroisoquinoline-4-carboxaldehyde |
IUPAC Name: | 3-chloroisoquinoline-4-carbaldehyde |
Description: | 3-Chloroisoquinoline-4-carbaldehyde |
Molecular Weight: | 191.61 |
Molecular Formula: | C10H6ClNO |
Canonical SMILES: | C1=CC=C2C(=C1)C=NC(=C2C=O)Cl |
InChI: | InChI=1S/C10H6ClNO/c11-10-9(6-13)8-4-2-1-3-7(8)5-12-10/h1-6H |
InChI Key: | HMSMGFVSFVMHFQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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