CAS 1460-05-5 | Benzeneacetaldehyde, 4-nitro- | CAS Number 1460-05-5

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1460-05-5 | Benzeneacetaldehyde, 4-nitro-

CAS No: 1460-05-5 Catalog No: AG001DLV MDL No:MFCD06738700

Product Description

Catalog Number:

AG001DLV

Chemical Name:

Benzeneacetaldehyde, 4-nitro-

CAS Number:

1460-05-5

Molecular Formula:

C8H7NO3

Molecular Weight:

165.1461

MDL Number:

MFCD06738700

IUPAC Name:

2-(4-nitrophenyl)acetaldehyde

InChI:

InChI=1S/C8H7NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,6H,5H2

InChI Key:

NDXLKCBBPVHYSO-UHFFFAOYSA-N

SMILES:

O=CCc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

168

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.148g/mol

Monoisotopic Mass:

165.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Tumor suppressor p53 functions as a negative regulator in IgE-mediated mast cell activation.	PloS one 20110101
Analysis of B cell selection in the germinal center reaction during a T-dependent antibody response at a single cell level.	Immunology letters 20080415
Analysis of antigen-stimulated B cell migration into germinal centers during the early stage of a T-dependent immune response.	Immunology letters 20070315
B cell selection and affinity maturation during an antibody response in the mouse with limited B cell diversity.	Journal of immunology (Baltimore, Md. : 1950) 20021215