1-Methyl-6-nitroindole

CAT: 0127-OR910612-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR910612-01Size:100 mg

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CAS Number

99459-48-0

MDL Number

MFCD13178347

Purity

98%

Smiles

Cn1ccc2ccc(cc12)[N+](=O)[O-]

Chemical Information

1-Methyl-6-nitro-1H-indole

CAS Number	99459-48-0
PubChem CID	10607359
IUPAC Name	1-methyl-6-nitroindole
Molecular Formula	C9H8N2O2
Molecular Weight	176.17
XLogP	1.2
Topological Polar Surface Area	50.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	214

SMILES

CN1C=CC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O2/c1-10-5-4-7-2-3-8(11(12)13)6-9(7)10/h2-6H,1H3

InChIKey

AYGFFYXMDIOSFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99459-48-0

CID: 10607359

Formula: C9H8N2O2

MW: 176.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.058577502
Monoisotopic Mass	176.058577502
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214
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
OR92829-01	Methyl 6-nitroindole-3-carboxylate
OR923916-01	4-Nitroindole-3-carboxaldehyde
OR912798-01	3-Chloro-7-nitroindole
OR96565-01	3-Bromo-5-nitroindole
OR912799-01	3-Bromo-7-nitroindole
OR76583-01	Methyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate
OR74076-01	Methyl 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
OR76680-01	Methyl 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate
OR470255	1-Methyl-6-nitrobenzimidazole
OR1085054-01	Methyl 6-methyl-[1,1'-biphenyl]-3-carboxylate

Catalog	Name
GTR19245349-01	6-Nitroindole
N09350-01	6-Nitroindole 98%
418743-01	2-Methyl-4-nitroindole
sc-230529	2-Methyl-5-nitroindole
234807-01	6-Nitroindole 99+% (HPLC)
sc-300042	6-Nitroindole-3-carboxylic acid
sc-268084	5-Methoxy-1-methyl-4-nitroindole-3-carboxaldehyde
sc-299054	3-Formyl-2-methyl-5-nitroindole
sc-319674	7-Chloro-2-methyl-4-nitroindole
458287-01	N-Boc-3-bromo-6-nitroindole