6-Cyano-1H-indazole - CAS 141290-59-7
Catalog: |
BB009166 |
Product Name: |
6-Cyano-1H-indazole |
CAS: |
141290-59-7 |
Synonyms: |
1H-indazole-6-carbonitrile |
IUPAC Name: | 1H-indazole-6-carbonitrile |
Description: | 6-Cyano-1H-indazole (CAS# 141290-59-7) is a useful research chemical. |
Molecular Weight: | 143.15 |
Molecular Formula: | C8H5N3 |
Canonical SMILES: | C1=CC2=C(C=C1C#N)NN=C2 |
InChI: | InChI=1S/C8H5N3/c9-4-6-1-2-7-5-10-11-8(7)3-6/h1-3,5H,(H,10,11) |
InChI Key: | QVGRVWCYOJDNQK-UHFFFAOYSA-N |
Boiling Point: | 370.312 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.34 g/cm3 |
Appearance: | Powder or crystals |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD04973398 |
LogP: | 1.43458 |
GHS Hazard Statement: | H302 (97.44%): 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-2019209948-A1 | Compounds and uses thereof | 20180425 |
WO-2019209948-A9 | Compounds and uses thereof | 20180425 |
WO-2019186164-A1 | Factor xiia inhibitors | 20180329 |
EP-3773555-A1 | Factor xiia inhibitors | 20180329 |
WO-2019084157-A1 | COMPOUNDS AND USES THEREOF | 20171024 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.048347172 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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