5-Nitro-1H-indole

CAT: 0127-OR0385-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR0385-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

6146-52-7

MDL Number

MFCD00005673

Purity

97%

Smiles

[O-][N+](=O)c1ccc2[nH]ccc2c1

Chemical Information

5-Nitroindole

CAS Number	6146-52-7
PubChem CID	22523
IUPAC Name	5-nitro-1H-indole
Molecular Formula	C8H6N2O2
Molecular Weight	162.15
XLogP	2.5
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	190

SMILES

C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H

InChIKey

OZFPSOBLQZPIAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6146-52-7

CID: 22523

Formula: C8H6N2O2

MW: 162.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.15
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	162.042927438
Monoisotopic Mass	162.042927438
Topological Polar Surface Area	61.6 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
NIA54201-01	5-Chloro-3-nitro-1H-indole
XTB11703-01	3-Cyclobutanecarbonyl-5-nitro-1H-indole
abx188355	3-Bromo-5-Nitro-1H-Indole
GTR19254251-01	5-Nitro-1H-indole-3-carbaldehyde
AR-I03621-01	3-Chloro-5-Nitro-1H-Indole
410058-01	1-Methyl-5-nitro-1H-indole
sc-318983A	5-Nitro-6- (trifluoromethyl) -1H-indole
AR-I03615-01	4-Bromo-5-Nitro-1H-Indole
AR-I03622-01	4-Ethyl-5-Nitro-1H-Indole
KFA53192-01	5-Methoxy-4-nitro-1H-indole