3-Iodo-6-nitroindazole - CAS 70315-70-7

Catalog:	BB034130
Product Name:	3-Iodo-6-nitroindazole
CAS:	70315-70-7
Synonyms:	3-iodo-6-nitro-2H-indazole; 3-iodo-6-nitro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-iodo-6-nitro-2H-indazole
Description:	3-Iodo-6-nitroindazole (CAS# 70315-70-7) is a useful research chemical.
Molecular Weight:	289.03
Molecular Formula:	C7H4IN3O2
Canonical SMILES:	C1=CC2=C(NN=C2C=C1[N+](=O)[O-])I
InChI:	InChI=1S/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
InChI Key:	GZCGNGLOCQEDMT-UHFFFAOYSA-N
Boiling Point:	458.027 °C at 760 mmHg
Density:	2.24 g/cm³
MDL:	MFCD07781652
LogP:	2.59890

Publication Number	Title	Priority Date
EP-3617197-A1	Method for producing difluoromethylene compound	20170428
US-2020190038-A1	Method for producing difluoromethylene compound	20170428
US-10143695-B2	Pyrrolobenzodiazepines and conjugates thereof	20160518
US-10660901-B2	Pyrrolobenzodiazepines and conjugates thereof	20160518
US-2017333442-A1	Pyrrolobenzodiazepines and conjugates thereof	20160518

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.93482
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	288.93482
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1