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Home Halogens Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-

Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-

CAS No.:
128621-72-7
Catalog Number:
AG000Y96
Molecular Formula:
C13H10Cl2F3N3O3
Molecular Weight:
384.1380
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Product Description
Catalog Number:
AG000Y96
Chemical Name:
Benzenepropanoic acid, α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-
CAS Number:
128621-72-7
Molecular Formula:
C13H10Cl2F3N3O3
Molecular Weight:
384.1380
MDL Number:
MFCD09751191
IUPAC Name:
2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid
InChI:
InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)
InChI Key:
YHKBGVDUSSWOAB-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
EC Number:
603-289-7
Properties
Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.005g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
384.136g/mol
Monoisotopic Mass:
383.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Mutations in lettuce improvement. International journal of plant genomics 20110101
Carfentrazone-ethyl: a new molecule for the control of hazelnut shoots. Communications in agricultural and applied biological sciences 20090101
Properties