Home Halogens N-(3-bromophenyl)prop-2-enamide

N-(3-bromophenyl)prop-2-enamide

CAS No.:
134046-67-6
Catalog Number:
AG01AJKP
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
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Product Description
Catalog Number:
AG01AJKP
Chemical Name:
N-(3-bromophenyl)prop-2-enamide
CAS Number:
134046-67-6
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD11133822
IUPAC Name:
N-(3-bromophenyl)prop-2-enamide
InChI:
InChI=1S/C9H8BrNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h2-6H,1H2,(H,11,12)
InChI Key:
PAJMSUNTWHMLKC-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)Br
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties