7-Nitroindole

CAT: 0926-FN02020-02Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FN02020-02Size:0.25 kg

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CAS Number

6960-42-5

MDL Number

MFCD00005683

Smiles

C1=CC2=C (C (=C1) [N+] (=O) [O-]) NC=C2

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 g/mol

Controlled

Chemical Information

7-Nitroindole

CAS Number	6960-42-5
PubChem CID	23396
IUPAC Name	7-nitro-1H-indole
Molecular Formula	C8H6N2O2
Molecular Weight	162.15
XLogP	2.6
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(=C1)[N+](=O)[O-])NC=C2

InChI

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

InChIKey

LZJGQIVWUKFTRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6960-42-5

CID: 23396

Formula: C8H6N2O2

MW: 162.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.15
XLogP3	2.6
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
FN07841-01	5-Nitroindole
FN52496-01	6-Nitroindole
FN11792-01	4-Nitroindole
FA137923-01	3- (2-Aminoethyl) -5-nitroindole
FE56789-01	Ethyl 5-Nitroindole-2-Carboxylate
ND10031-01	1- (2-Deoxy-b-D-ribofuranosyl) -5-nitroindole
MDA24006	7-Bromo-5-nitroindoline
ND11336-01	2-Deoxy-1- (5'-O-DMT-b-D-ribofuranosyl) -5-nitroindole
FC144696-01	7-Cyano-7-deazaguanosine
ND164753-01	7-Deaza-7-iodoguanosine

Catalog	Name
TYD-00405-01	7-Nitroindole
OR912798-01	3-Chloro-7-nitroindole
266093-01	3-Bromo-7-Nitroindole
234957-01	7-Nitroindole 98+% (HPLC)
234032-01	5-Bromo-7-nitroindole
sc-300096A	7-Nitroindole-3-carboxaldehyde
sc-311264	7-Bromo-5-nitroindole
sc-298591	2,3-Dimethyl-7-nitroindole
285882-01	7-Nitroindole-2-carboxylic acid
449557-01	Ethyl 7-Nitroindole-2-carboxylate