4-Fluoro-3-iodoindazole - CAS 518990-32-4

Catalog:	BB027641
Product Name:	4-Fluoro-3-iodoindazole
CAS:	518990-32-4
Synonyms:	4-fluoro-3-iodo-2H-indazole; 4-fluoro-3-iodo-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	4-fluoro-3-iodo-2H-indazole
Description:	4-Fluoro-3-iodoindazole (CAS# 518990-32-4) is a useful research chemical.
Molecular Weight:	262.02
Molecular Formula:	C7H4FIN2
Canonical SMILES:	C1=CC2=NNC(=C2C(=C1)F)I
InChI:	InChI=1S/C7H4FIN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
InChI Key:	PYFIFZHAAHFPEC-UHFFFAOYSA-N
Boiling Point:	361.415 °C at 760 mmHg
Density:	2.159 g/cm³
Appearance:	Beige powder
MDL:	MFCD07781590
LogP:	2.30660

Publication Number	Title	Priority Date
CA-2921880-A1	Alkynyl alcohols and methods of use	20130822
EP-3036230-A1	Alkynyl alcohols and methods of use	20130822
JP-2016533385-A	Alkynyl alcohol and method of use	20130822
KR-20160045819-A	Alkynyl alcohols and methods of use	20130822
US-2015065482-A1	Alkynyl alcohols and methods of use	20130822

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.94032
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	261.94032
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3