3-Iodo-7-nitroindazole

CAT: 0024-sc-310853Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-310853Size:250 mg

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CAS Number

864724-64-1

Chemical Information

3-iodo-7-nitro-1H-indazole

CAS Number	864724-64-1
PubChem CID	12194792
IUPAC Name	3-iodo-7-nitro-2H-indazole
Molecular Formula	C7H4IN3O2
Molecular Weight	289.03
XLogP	2.1
Topological Polar Surface Area	74.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

C1=CC2=C(NN=C2C(=C1)[N+](=O)[O-])I

InChI

InChI=1S/C7H4IN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)

InChIKey

CVQKINXVUVZMJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 864724-64-1

CID: 12194792

Formula: C7H4IN3O2

MW: 289.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.03
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	288.93482
Monoisotopic Mass	288.93482
Topological Polar Surface Area	74.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-3569	7-Nitroindazole
sc-200347	3-Bromo-7-nitroindazole
sc-200347A	3-Bromo-7-nitroindazole
sc-220856B	3-Bromo-7-nitroindazole sodium salt
sc-220856	3-Bromo-7-nitroindazole sodium salt
sc-221114	7-Nitroindazole sodium salt
sc-220856A	3-Bromo-7-nitroindazole sodium salt
sc-221114A	7-Nitroindazole sodium salt
sc-356745	3-Iodo-7-nitroindole, N-BOC protected
sc-256521	3-Iodo-7-azaindole