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2760-35-2 | Propanamide, N-(4-bromophenyl)-
CAS No: 2760-35-2 Catalog No: AG002U7C MDL No:
Product Description
Catalog Number:
AG002U7C
Chemical Name:
Propanamide, N-(4-bromophenyl)-
CAS Number:
2760-35-2
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
IUPAC Name:
N-(4-bromophenyl)propanamide
InChI:
InChI=1S/C9H10BrNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChI Key:
OKCYFRFBRDYTRP-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc(cc1)Br
NSC Number:
404309
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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 |
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