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PYRIFTALID

CAS No.:
135186-78-6
Catalog Number:
AG009B7P
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
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Product Description
Catalog Number:
AG009B7P
Chemical Name:
PYRIFTALID
CAS Number:
135186-78-6
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
MDL Number:
MFCD06201843
IUPAC Name:
7-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C15H14N2O4S/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3
InChI Key:
RRKHIAYNPVQKEF-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Sc1cccc2c1C(=O)OC2C
EC Number:
603-904-9
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.067g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.347g/mol
Monoisotopic Mass:
318.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
7-(4,6-Dimethoxypyrimidinyl)oxy- and -thiophthalides as novel herbicides: Part 1. CGA 279 233: a new grass-killer for rice. Pest management science 20010301
Properties