6-Nitroindoline

CAT: 0926-FN52502-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FN52502-02Size:25 g

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CAS Number

19727-83-4

Synonyms

2,3-Dihydro-6-Nitro- (1H) -Indole

MDL Number

MFCD00005710

Smiles

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

Molecular Formula

C8H8N2O2

Molecular Weight

164.16 g/mol

Controlled

Chemical Information

6-Nitroindoline

CAS Number	19727-83-4
PubChem CID	29757
IUPAC Name	6-nitro-2,3-dihydro-1H-indole
Molecular Formula	C8H8N2O2
Molecular Weight	164.16
XLogP	1.9
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	190

SMILES

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

InChI

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

InChIKey

LTNYDSMDSLOMSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19727-83-4

CID: 29757

Formula: C8H8N2O2

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	164.058577502
Monoisotopic Mass	164.058577502
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	12
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	1
Compound Is Canonicalized	Yes

Catalog	Name
MDA24006	7-Bromo-5-nitroindoline
FN52496-01	6-Nitroindole
AAA76464-01	6,6,6-Trifluorohexanoic acid
FB183788	6,6'-Bieckol
NA16207	6,6'-Azopurine
FBA34370-01	6,6′-Dihydroxythiobinupharidine
FD32493-01	6,6'-Dibromoindigo
KLC36459-01	6,6,6-Trifluorohexan-2-ol
QCA61147-01	6,6,6-Trifluorohexan-1-ol
UXB76543-01	6,6,6-Trifluorohexan-3-one

Catalog	Name
sc-256998	6-Nitroindoline
OR1053702-01	6-Nitroindoline hydrochloride
OR1063805-01	6-Chloro-5-nitroindoline
OR93485-01	5-Methoxy-6-nitroindoline
OR1021388	3,3-Dimethyl-6-nitroindoline
OR8333	5-Nitroindoline
OR84362-01	Tert-Butyl 6-nitroindoline-1-carboxylate
OR1063999	7-Nitroindoline
OR55492-01	4-Nitroindoline
N09370-01	5-Nitroindoline 97%