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

Technical Data

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Computed Properties

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

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

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Related Functional Groups

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[3176-66-7]
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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

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