7-Iodoindole-3-carboxaldehyde - CAS 123020-22-4
Catalog: |
BB005618 |
Product Name: |
7-Iodoindole-3-carboxaldehyde |
CAS: |
123020-22-4 |
Synonyms: |
7-iodo-1H-indole-3-carbaldehyde |
IUPAC Name: | 7-iodo-1H-indole-3-carbaldehyde |
Description: | 7-Iodoindole-3-carboxaldehyde (CAS# 123020-22-4 ) is a useful research chemical. |
Molecular Weight: | 271.05 |
Molecular Formula: | C9H6INO |
Canonical SMILES: | C1=CC2=C(C(=C1)I)NC=C2C=O |
InChI: | InChI=1S/C9H6INO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H |
InChI Key: | WHGDHUAKWNEPJU-UHFFFAOYSA-N |
LogP: | 2.58500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.94941 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.94941 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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