CAS 4769-97-5 | 4-Nitroindole | CAS Number 4769-97-5

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4769-97-5 | 4-Nitroindole

CAS No: 4769-97-5 Catalog No: AG00344J MDL No:MFCD00010056

Product Description

Catalog Number:

AG00344J

Chemical Name:

4-Nitroindole

CAS Number:

4769-97-5

Molecular Formula:

C8H6N2O2

Molecular Weight:

162.1454

MDL Number:

MFCD00010056

IUPAC Name:

4-nitro-1H-indole

InChI:

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

InChI Key:

LAVZKLJDKGRZJG-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc2c1cc[nH]2

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:

2.6

Literature

Title	Journal
Modes of action of microbially-produced phytotoxins.	Toxins 20110801
The thaxtomin phytotoxins: sources, synthesis, biosynthesis, biotransformation and biological activity.	Phytochemistry 20090501
Influence of thaxtomins in different combinations and concentrations on growth of micropropagated potato shoot cultures.	Journal of agricultural and food chemistry 20060503