Name: Name:Acetamide, 2-cyano-N-(2,3-dichlorophenyl)-
Brand: Angene
SKU: AG006E06
Rating: 90 (10 reviews)

Acetamide, 2-cyano-N-(2,3-dichlorophenyl)-

CAS No.:

90418-04-5

Catalog Number:

AG006E06

Molecular Formula:

C9H6Cl2N2O

Molecular Weight:

229.0627

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Product Description

Catalog Number:

AG006E06

Chemical Name:

Acetamide, 2-cyano-N-(2,3-dichlorophenyl)-

CAS Number:

90418-04-5

Molecular Formula:

C9H6Cl2N2O

Molecular Weight:

229.0627

MDL Number:

MFCD03479187

IUPAC Name:

2-cyano-N-(2,3-dichlorophenyl)acetamide

InChI:

InChI=1S/C9H6Cl2N2O/c10-6-2-1-3-7(9(6)11)13-8(14)4-5-12/h1-3H,4H2,(H,13,14)

InChI Key:

PAARTMNKZUCFOT-UHFFFAOYSA-N

SMILES:

Clc1c(NC(=O)CC#N)cccc1Cl

Properties

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.06g/mol

Monoisotopic Mass:

227.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties