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57479-70-6 | 4-Chloro-2-methoxybenzoic acid
CAS No: 57479-70-6 Catalog No: AG003L3J MDL No:MFCD00002532
Product Description
Catalog Number:
AG003L3J
Chemical Name:
4-Chloro-2-methoxybenzoic acid
CAS Number:
57479-70-6
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00002532
IUPAC Name:
4-chloro-2-methoxybenzoic acid
InChI:
InChI=1S/C8H7ClO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
UFEYMXHWIHFRBX-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)ccc1C(=O)O
EC Number:
260-761-1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Marinopyrrole derivatives as potential antibiotic agents against methicillin-resistant Staphylococcus aureus (I). | Marine drugs 20120401 |
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