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7569-62-2 | 2-(5-Chloro-2-methoxyphenyl)acetic acid
CAS No: 7569-62-2 Catalog No: AG003BXW MDL No:MFCD02664695
Product Description
Catalog Number:
AG003BXW
Chemical Name:
2-(5-Chloro-2-methoxyphenyl)acetic acid
CAS Number:
7569-62-2
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD02664695
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H9ClO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
KEUMRDNHQQLLKV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC(=O)O)Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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