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613-54-7 | 2-Bromo-1-(naphthalen-2-yl)ethanone
CAS No: 613-54-7 Catalog No: AG003GM9 MDL No:MFCD00004109
Product Description
Catalog Number:
AG003GM9
Chemical Name:
2-Bromo-1-(naphthalen-2-yl)ethanone
CAS Number:
613-54-7
Molecular Formula:
C12H9BrO
Molecular Weight:
249.1033
MDL Number:
MFCD00004109
IUPAC Name:
2-bromo-1-naphthalen-2-ylethanone
InChI:
InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChI Key:
YHXHHGDUANVQHE-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc2c(c1)cccc2
EC Number:
210-348-7
NSC Number:
36849
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:
4
Literature
| Title | Journal |
|---|---|
| alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship. | Bioorganic & medicinal chemistry letters 20021104 |
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