5-Nitro-2-oxindole

CAT: 0024-sc-226998Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226998Size:1 g

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CAS Number

20870-79-5

Chemical Information

5-Nitro-2-oxindole

CAS Number	20870-79-5
PubChem CID	230366
IUPAC Name	5-nitro-1,3-dihydroindol-2-one
Molecular Formula	C8H6N2O3
Molecular Weight	178.14
XLogP	1
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	248

SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)

InChIKey

JQCGHRDKVZPCRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20870-79-5

CID: 230366

Formula: C8H6N2O3

MW: 178.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.14
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	178.03784206
Monoisotopic Mass	178.03784206
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	248
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-254813	5-Chloro-2-oxindole
sc-217182	5-Fluoro-2-oxindole
sc-254784	5-Bromo-2-oxindole
sc-501118	5-Chloro-2-oxindole-1-carboxamide
sc-263695	Methyl oxindole-5-carboxylate
sc-233673	7-Chloro-2-oxindole
sc-256981	6-Chloro-2-oxindole
sc-228657	N-Acetyl-2-oxindole
sc-224737	1-Methyl-2-oxindole
sc-227050	6-Bromo-2-oxindole