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197847-11-3 | Propanamide, N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-
CAS No: 197847-11-3 Catalog No: AG002B3Z MDL No:
Product Description
Catalog Number:
AG002B3Z
Chemical Name:
Propanamide, N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-
CAS Number:
197847-11-3
Molecular Formula:
C13H18BrNO
Molecular Weight:
284.1921
IUPAC Name:
N-[1-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
InChI:
InChI=1S/C13H18BrNO/c1-9(15-12(16)13(2,3)4)10-5-7-11(14)8-6-10/h5-9H,1-4H3,(H,15,16)
InChI Key:
ZLUNJWQJXQFSAM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)NC(=O)C(C)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.197g/mol
Monoisotopic Mass:
283.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent. | The Journal of chemical physics 20080807 |
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