1H-Indazole-4-carbaldehyde - CAS 669050-70-8
Catalog: |
BB033133 |
Product Name: |
1H-Indazole-4-carbaldehyde |
CAS: |
669050-70-8 |
Synonyms: |
1H-indazole-4-carboxaldehyde; 1H-indazole-4-carbaldehyde |
IUPAC Name: | 1H-indazole-4-carbaldehyde |
Description: | 1H-Indazole-4-carbaldehyde (CAS# 669050-70-8) is a useful research chemical. |
Molecular Weight: | 146.15 |
Molecular Formula: | C8H6N2O |
Canonical SMILES: | C1=CC(=C2C=NNC2=C1)C=O |
InChI: | InChI=1S/C8H6N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-5H,(H,9,10) |
InChI Key: | FPJXNCKSPFGQGC-UHFFFAOYSA-N |
Boiling Point: | 358.3 ℃ at 760 mmHg |
Density: | 1.368 g/cm3 |
MDL: | MFCD06738279 |
LogP: | 1.37540 |
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 |
Publication Number | Title | Priority Date |
CN-113024435-A | Linbicyclic structure sigma-1 receptor inhibitors | 20191209 |
WO-2020254552-A2 | Substituted pyrrolidine amides v | 20190619 |
WO-2020186220-A1 | Compounds as inhibitors of macrophage migration inhibitory factor | 20190313 |
WO-2020114949-A1 | Heteroaromatic compounds as vanin inhibitors | 20181203 |
CN-113166117-A | Heteroaromatic compounds as VANIN inhibitors | 20181203 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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