4-Nitroindole

CAT: 0926-FN11792-03Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FN11792-03Size:50 g

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CAS Number

4769-97-5

MDL Number

MFCD00010056

Smiles

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

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 g/mol

Controlled

Chemical Information

4-Nitro-1H-indole

CAS Number	4769-97-5
PubChem CID	145766
IUPAC Name	4-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=CN2)C(=C1)[N+](=O)[O-]

InChI

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

InChIKey

LAVZKLJDKGRZJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4769-97-5

CID: 145766

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
FN52496-01	6-Nitroindole
FN07841-01	5-Nitroindole
FN02020-01	7-Nitroindole
FB52340-01	5-Bromo-7-Nitroindole
FA137923-01	3- (2-Aminoethyl) -5-nitroindole
FE56789-01	Ethyl 5-Nitroindole-2-Carboxylate
FN56796-01	7-Nitroindole-2-carboxylic acid
ND10031-01	1- (2-Deoxy-b-D-ribofuranosyl) -5-nitroindole
ND11336-01	2-Deoxy-1- (5'-O-DMT-b-D-ribofuranosyl) -5-nitroindole
FA66807-01	2-Acetyl-4-nitroindane-1,3-dione

Catalog	Name
TYD-00024-01	4-Nitroindole
418743-01	2-Methyl-4-nitroindole
sc-266507	3-Bromo-4-nitroindole
OR923916-01	4-Nitroindole-3-carboxaldehyde
233443-01	4-Nitroindole 98+% (HPLC)
sc-294566	Ethyl-4-nitroindole-2-carboxylate
OR2511	2-tert-Butyl-4-nitroindole
285883-01	4-Nitroindole-2-Carboxylic Acid
OR3588	4-Nitroindole, N-BOC protected
TYD-00405-01	7-Nitroindole