CAS 4769-96-4 | 6-Nitro-1H-indole | CAS Number 4769-96-4

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4769-96-4 | 6-Nitro-1H-indole

CAS No: 4769-96-4 Catalog No: AG003NBF MDL No:MFCD00051497

Product Description

Catalog Number:

AG003NBF

Chemical Name:

6-Nitro-1H-indole

CAS Number:

4769-96-4

Molecular Formula:

C8H6N2O2

Molecular Weight:

162.1454

MDL Number:

MFCD00051497

IUPAC Name:

6-nitro-1H-indole

InChI:

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

InChI Key:

PSWCIARYGITEOY-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)[nH]cc2

EC Number:

225-311-0

NSC Number:

89285

Properties

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.148g/mol

Monoisotopic Mass:

162.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.	Journal of medicinal chemistry 20040603