5-Benzyloxy-1H-indazole - CAS 78299-75-9
Catalog: |
BB036147 |
Product Name: |
5-Benzyloxy-1H-indazole |
CAS: |
78299-75-9 |
Synonyms: |
5-phenylmethoxy-1H-indazole; 5-phenylmethoxy-1H-indazole |
IUPAC Name: | 5-phenylmethoxy-1H-indazole |
Description: | 5-Benzyloxy-1H-indazole (CAS# 78299-75-9) is a useful research chemical. |
Molecular Weight: | 224.26 |
Molecular Formula: | C14H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NN=C3 |
InChI: | InChI=1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-6-7-14-12(8-13)9-15-16-14/h1-9H,10H2,(H,15,16) |
InChI Key: | INFXNBBPBLSPDV-UHFFFAOYSA-N |
Boiling Point: | 422.4 °C at 760 mmHg |
Density: | 1.247 g/cm3 |
LogP: | 3.14190 |
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 |
AU-2017228870-A1 | Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | 20160307 |
CA-3016341-A1 | Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | 20160307 |
EP-3426248-A1 | Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | 20160307 |
JP-2019507768-A | Bicyclic aryl monobactam compounds and methods of using them to treat bacterial infections | 20160307 |
KR-20180121948-A | Bicyclic aryl monobactam compounds and uses thereof for the treatment of bacterial infections | 20160307 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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Indazoles
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