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Home Sulfos Benzoic acid, 3-chloro-2-[[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino]-, methyl ester

Benzoic acid, 3-chloro-2-[[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino]-, methyl ester

CAS No.:
147150-35-4
Catalog Number:
AG001EO3
Molecular Formula:
C15H13ClFN5O5S
Molecular Weight:
429.8106
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Product Description
Catalog Number:
AG001EO3
Chemical Name:
Benzoic acid, 3-chloro-2-[[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino]-, methyl ester
CAS Number:
147150-35-4
Molecular Formula:
C15H13ClFN5O5S
Molecular Weight:
429.8106
MDL Number:
MFCD08273840
IUPAC Name:
methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate
InChI:
InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
InChI Key:
BIKACRYIQSLICJ-UHFFFAOYSA-N
SMILES:
CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC
EC Number:
604-573-3
UNII:
N9P737Z6HO
Properties
Complexity:
668  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.031g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
429.807g/mol
Monoisotopic Mass:
429.031g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Cross-resistance of horseweed (Conyza canadensis) populations with three different ALS mutations. Pest management science 20111201
Phytotoxicity assay for seed production using Brassica rapa L. Integrated environmental assessment and management 20101001
A composite transcriptional signature differentiates responses towards closely related herbicides in Arabidopsis thaliana and Brassica napus. Plant molecular biology 20100301
Potato (Solanum tuberosum) greenhouse tuber production as an assay for asexual reproduction effects from herbicides. Environmental toxicology and chemistry 20100101
The watershed as a conceptual framework for the study of environmental and human health. Environmental health insights 20090101
Properties