Home Halogens Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)

Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)

CAS No.:
123343-16-8
Catalog Number:
AG000KF6
Molecular Formula:
C13H10ClN2NaO4S
Molecular Weight:
348.7373
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Product Description
Catalog Number:
AG000KF6
Chemical Name:
Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)
CAS Number:
123343-16-8
Molecular Formula:
C13H10ClN2NaO4S
Molecular Weight:
348.7373
MDL Number:
MFCD04112620
IUPAC Name:
sodium;2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate
InChI:
InChI=1S/C13H11ClN2O4S.Na/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);/q;+1/p-1
InChI Key:
CNILNQMBAHKMFS-UHFFFAOYSA-M
SMILES:
COc1cc(OC)nc(n1)Sc1cccc(c1C(=O)[O-])Cl.[Na+]
EC Number:
602-931-3
UNII:
5M13LUJ9WY
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.995g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.733g/mol
Monoisotopic Mass:
347.995g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Amaranthus palmeri resistance and differential tolerance of Amaranthus palmeri and Amaranthus hybridus to ALS-inhibitor herbicides. Pest management science 20010501
Properties