CAS 13997-69-8 | 2-Propenamide, N-(4-bromophenyl)- | CAS Number 13997-69-8

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13997-69-8 | 2-Propenamide, N-(4-bromophenyl)-

CAS No: 13997-69-8 Catalog No: AG001BWE MDL No:MFCD02375842

Product Description

Catalog Number:

AG001BWE

Chemical Name:

2-Propenamide, N-(4-bromophenyl)-

CAS Number:

13997-69-8

Molecular Formula:

C9H8BrNO

Molecular Weight:

226.0699

MDL Number:

MFCD02375842

IUPAC Name:

N-(4-bromophenyl)prop-2-enamide

InChI:

InChI=1S/C9H8BrNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)

InChI Key:

ZSBLNRQSHLZWNV-UHFFFAOYSA-N

SMILES:

C=CC(=O)Nc1ccc(cc1)Br

NSC Number:

98136

Properties

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.073g/mol

Monoisotopic Mass:

224.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease.	Journal of medicinal chemistry 20120209
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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