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123342-93-8 | Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-
CAS No: 123342-93-8 Catalog No: AG000KF8 MDL No:
Product Description
Catalog Number:
AG000KF8
Chemical Name:
Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-
CAS Number:
123342-93-8
Molecular Formula:
C13H11ClN2O4S
Molecular Weight:
326.7554
IUPAC Name:
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)
InChI Key:
QEGVVEOAVNHRAA-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Sc1cccc(c1C(=O)O)Cl
UNII:
3327Q8RB9O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.751g/mol
Monoisotopic Mass:
326.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Corn poppy (Papaver rhoeas) cross-resistance to ALS-inhibiting herbicides. | Pest management science 20110501 |
| Multiple allelic forms of acetohydroxyacid synthase are responsible for herbicide resistance in Setaria viridis. | TAG. Theoretical and applied genetics. Theoretische und angewandte Genetik 20090801 |
| Amaranthus palmeri resistance and differential tolerance of Amaranthus palmeri and Amaranthus hybridus to ALS-inhibitor herbicides. | Pest management science 20010501 |
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