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OXABETRINIL

CAS No.:
74782-23-3
Catalog Number:
AG00G2JJ
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
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Product Description
Catalog Number:
AG00G2JJ
Chemical Name:
OXABETRINIL
CAS Number:
74782-23-3
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD00078739
IUPAC Name:
(E)-N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide
InChI:
InChI=1S/C12H12N2O3/c13-8-11(10-4-2-1-3-5-10)14-17-9-12-15-6-7-16-12/h1-5,12H,6-7,9H2/b14-11-
InChI Key:
WFVUIONFJOAYPK-KAMYIIQDSA-N
SMILES:
N#C/C(=N/OCC1OCCO1)/c1ccccc1
EC Number:
616-136-4
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Festuca arundinacea, glutathione S-transferase and herbicide safeners: a preliminary case study to reduce herbicidal pollution. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20091101
Induction of wheat and maize glutathione S-transferase by some herbicide safeners and their effect on enzyme activity against butachlor and terbuthylazine. Pest management science 20061001
Properties