CAS 192997-25-4 | 1-(4-NITRO-BENZYL)-1H-INDOLE-3-CARBALDEHYDE | CAS Number 192997-25-4

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192997-25-4 | 1-(4-NITRO-BENZYL)-1H-INDOLE-3-CARBALDEHYDE

CAS No: 192997-25-4 Catalog No: AG00APFJ MDL No:MFCD02611629

Product Description

Catalog Number:

AG00APFJ

Chemical Name:

1-(4-NITRO-BENZYL)-1H-INDOLE-3-CARBALDEHYDE

CAS Number:

192997-25-4

Molecular Formula:

C16H12N2O3

Molecular Weight:

280.2781

MDL Number:

MFCD02611629

IUPAC Name:

1-[(4-nitrophenyl)methyl]indole-3-carbaldehyde

InChI:

InChI=1S/C16H12N2O3/c19-11-13-10-17(16-4-2-1-3-15(13)16)9-12-5-7-14(8-6-12)18(20)21/h1-8,10-11H,9H2

InChI Key:

JAWFXXLBXDAJAJ-UHFFFAOYSA-N

SMILES:

O=Cc1cn(c2c1cccc2)Cc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

388

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.283g/mol

Monoisotopic Mass:

280.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities.	Journal of medicinal chemistry 20110428
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