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50916-55-7 | 3-Cyanophenacyl Bromide
CAS No: 50916-55-7 Catalog No: AG0035VQ MDL No:MFCD00833267
Product Description
Catalog Number:
AG0035VQ
Chemical Name:
3-Cyanophenacyl Bromide
CAS Number:
50916-55-7
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD00833267
IUPAC Name:
3-(2-bromoacetyl)benzonitrile
InChI:
InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2
InChI Key:
XWCGNFLHRINYCE-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)C#N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds. | Journal of medicinal chemistry 20110623 |
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