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7500-37-0 | 2-(4-Bromophenyl)-2-oxoethyl acetate
CAS No: 7500-37-0 Catalog No: AG005EZM MDL No:MFCD00174274
Product Description
Catalog Number:
AG005EZM
Chemical Name:
2-(4-Bromophenyl)-2-oxoethyl acetate
CAS Number:
7500-37-0
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD00174274
IUPAC Name:
[2-(4-bromophenyl)-2-oxoethyl] acetate
InChI:
InChI=1S/C10H9BrO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChI Key:
DYDDLQHJYMWTMU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)COC(=O)C
NSC Number:
400447
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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