CAS 122-28-1 | 3-NITROACETANILIDE | CAS Number 122-28-1

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122-28-1 | 3-NITROACETANILIDE

CAS No: 122-28-1 Catalog No: AG003JSW MDL No:MFCD00017015

Product Description

Catalog Number:

AG003JSW

Chemical Name:

3-NITROACETANILIDE

CAS Number:

122-28-1

Molecular Formula:

C8H8N2O3

Molecular Weight:

180.1607

MDL Number:

MFCD00017015

IUPAC Name:

N-(3-nitrophenyl)acetamide

InChI:

InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11)

InChI Key:

KFTYNYHJHKCRKU-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1cccc(c1)[N+](=O)[O-]

EC Number:

204-532-6

UNII:

QGH8S22NBP

Properties

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.163g/mol

Monoisotopic Mass:

180.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Kinetic analysis of butyrylcholinesterase-catalyzed hydrolysis of acetanilides.	Biochimica et biophysica acta 20070901
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