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17302-82-8 | Ethyl 3,5-dichloro-4-hydroxybenzoate
CAS No: 17302-82-8 Catalog No: AG003Q6N MDL No:MFCD00016420
Product Description
Catalog Number:
AG003Q6N
Chemical Name:
Ethyl 3,5-dichloro-4-hydroxybenzoate
CAS Number:
17302-82-8
Molecular Formula:
C9H8Cl2O3
Molecular Weight:
235.0640
MDL Number:
MFCD00016420
IUPAC Name:
ethyl 3,5-dichloro-4-hydroxybenzoate
InChI:
InChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3
InChI Key:
WMKNGSJJEMFQOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)c(c(c1)Cl)O
EC Number:
241-331-2
NSC Number:
74473
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.06g/mol
Monoisotopic Mass:
233.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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