6-(Hydroxymethyl)-1H-indazole - CAS 916902-55-1

Catalog:	BB040320
Product Name:	6-(Hydroxymethyl)-1H-indazole
CAS:	916902-55-1
Synonyms:	1H-indazol-6-ylmethanol; 1H-indazol-6-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1H-indazol-6-ylmethanol
Description:	6-(Hydroxymethyl)-1H-indazole (CAS# 916902-55-1 ) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	C1=CC2=C(C=C1CO)NN=C2
InChI:	InChI=1S/C8H8N2O/c11-5-6-1-2-7-4-9-10-8(7)3-6/h1-4,11H,5H2,(H,9,10)
InChI Key:	WZCQPVLAXQMTJO-UHFFFAOYSA-N
Boiling Point:	380.3 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	1.05520

Publication Number	Title	Priority Date
WO-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	20190313
WO-2019195777-A1	Indene derivatives useful in treating pain and inflammation	20180406
EP-3774738-A1	Indene derivatives useful in treating pain and inflammation	20180406
AU-2018241406-A1	Pesticidal compounds	20170328
BR-112019020277-A2	compounds, composition, method to combat or control invertebrate pests, method to protect growing plants, seeds, use of a compound and method to treat or protect an animal	20170328

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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:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9