200,000+ products from a single source!
sales@angenechem.com
20099-89-2 | Benzonitrile, 4-(2-bromoacetyl)-
CAS No: 20099-89-2 Catalog No: AG002D45 MDL No:MFCD00052931
Product Description
Catalog Number:
AG002D45
Chemical Name:
Benzonitrile, 4-(2-bromoacetyl)-
CAS Number:
20099-89-2
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD00052931
IUPAC Name:
4-(2-bromoacetyl)benzonitrile
InChI:
InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
InChI Key:
LJANCPRIUMHGJE-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)C#N
EC Number:
606-435-8
NSC Number:
157569
Properties
Complexity:
210
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.