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13686-51-6 | Ethanone, 2-bromo-1-(1-naphthalenyl)-
CAS No: 13686-51-6 Catalog No: AG0012HO MDL No:MFCD07364275
Product Description
Catalog Number:
AG0012HO
Chemical Name:
Ethanone, 2-bromo-1-(1-naphthalenyl)-
CAS Number:
13686-51-6
Molecular Formula:
C12H9BrO
Molecular Weight:
249.1033
MDL Number:
MFCD07364275
IUPAC Name:
2-bromo-1-naphthalen-1-ylethanone
InChI:
InChI=1S/C12H9BrO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2
InChI Key:
OQLCVXVVASQZLX-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc2c1cccc2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.107g/mol
Monoisotopic Mass:
247.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship. | Bioorganic & medicinal chemistry letters 20021104 |
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