CAS 4770-03-0 | 3-nitroindole | CAS Number 4770-03-0

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4770-03-0 | 3-nitroindole

CAS No: 4770-03-0 Catalog No: AG006ZQP MDL No:MFCD13178651

Product Description

Catalog Number:

AG006ZQP

Chemical Name:

3-nitroindole

CAS Number:

4770-03-0

Molecular Formula:

C8H6N2O2

Molecular Weight:

162.1454

MDL Number:

MFCD13178651

IUPAC Name:

3-nitro-1H-indole

InChI:

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

InChI Key:

LSMXNZJFLGIPMS-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c[nH]c2c1cccc2

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:

2.4

Literature

Title	Journal
Multicomponent domino [4+2]/[3+2] cycloadditions of nitroheteroaromatics: an efficient synthesis of fused nitrogenated polycycles.	Organic letters 20071011
Catalytic enantioselective addition of indoles to arylnitroalkenes: an effective route to enantiomerically enriched tryptamine precursors.	Chirality 20051101