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29936-81-0 | 2-[4-(2-bromoacetyl)phenoxy]-aceticacid
CAS No: 29936-81-0 Catalog No: AG01EPGX MDL No:
Product Description
Catalog Number:
AG01EPGX
Chemical Name:
2-[4-(2-bromoacetyl)phenoxy]-aceticacid
CAS Number:
29936-81-0
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
IUPAC Name:
2-[4-(2-bromoacetyl)phenoxy]acetic acid
InChI:
InChI=1S/C10H9BrO4/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:
RLSUZPAAQRBGTM-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)OCC(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship. | Bioorganic & medicinal chemistry letters 20021104 |
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