7-Nitroindoline hydrochloride

CAT: 0127-OR1006566-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1006566-01Size:250 mg

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CAS Number

2173992-22-6

Purity

95%

Smiles

O=[N+](C1=CC=CC2=C1NCC2)[O-].[H]Cl

Chemical Information

7-Nitroindoline hydrochloride

CAS Number	2173992-22-6
PubChem CID	135394641
IUPAC Name	7-nitro-2,3-dihydro-1H-indole;hydrochloride
Molecular Formula	C8H9ClN2O2
Molecular Weight	200.62
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	190

SMILES

C1CNC2=C1C=CC=C2[N+](=O)[O-].Cl

InChI

InChI=1S/C8H8N2O2.ClH/c11-10(12)7-3-1-2-6-4-5-9-8(6)7;/h1-3,9H,4-5H2;1H

InChIKey

VZHMOVIJXOLTKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2173992-22-6

CID: 135394641

Formula: C8H9ClN2O2

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	200.0352552
Monoisotopic Mass	200.0352552
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	190
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1063999	7-Nitroindoline
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OR80469-01	7-Nitroindoline-2,3-dione
OR8333	5-Nitroindoline
OR55492-01	4-Nitroindoline
PC1004269-01	5-Fluoro-7-nitroindoline-2,3-dione
OR1063805-01	6-Chloro-5-nitroindoline
OR1055925	4-Methyl-5-nitroindoline

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