4-(1H-Tetrazol-5-yl)benzaldehyde - CAS 74815-22-8
Catalog: |
BB035168 |
Product Name: |
4-(1H-Tetrazol-5-yl)benzaldehyde |
CAS: |
74815-22-8 |
Synonyms: |
4-(2H-tetrazol-5-yl)benzaldehyde; 4-(2H-tetrazol-5-yl)benzaldehyde |
IUPAC Name: | 4-(2H-tetrazol-5-yl)benzaldehyde |
Description: | 4-(1H-Tetrazol-5-yl)benzaldehyde (CAS# 74815-22-8) is a useful research chemical compound. |
Molecular Weight: | 174.16 |
Molecular Formula: | C8H6N4O |
Canonical SMILES: | C1=CC(=CC=C1C=O)C2=NNN=N2 |
InChI: | InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12) |
InChI Key: | SRGPTCYCHZMFOR-UHFFFAOYSA-N |
Boiling Point: | 409 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
Appearance: | Powder |
MDL: | MFCD01311033 |
LogP: | 0.67920 |
GHS Hazard Statement: | H302 (16.67%): 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 |
WO-2021041539-A2 | Compounds and methods of use | 20190828 |
US-10584120-B1 | Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease | 20180831 |
US-2020071312-A1 | Benzimidazole compounds and use thereof for treating alzheimer's disease or huntington's disease | 20180831 |
CN-112601741-A | Improved compounds for MYC inhibition | 20180709 |
US-2021269430-A1 | Improved compounds for myc inhibition | 20180709 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.05416083 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.05416083 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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