Mrv0541 04251301012D          

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M  END
> <DATABASE_ID>
T3D3841

> <DATABASE_NAME>
t3db

> <SMILES>
CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1

> <INCHI_KEY>
VAIZTNZGPYBOGF-CYBMUJFWSA-N

> <FORMULA>
C19H20F3NO4

> <MOLECULAR_WEIGHT>
383.3616

> <EXACT_MASS>
383.134442748

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
36.70643978731807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate

> <ALOGPS_LOGP>
4.86

> <JCHEM_LOGP>
5.087035939333333

> <ALOGPS_LOGS>
-5.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.7973823359380259

> <JCHEM_POLAR_SURFACE_AREA>
57.650000000000006

> <JCHEM_REFRACTIVITY>
92.11350000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.09e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3841

> <NAME>
Fluazifop-P-butyl

> <CAS>
79241-46-6

> <SYNONYMS>
2-(4-((5-(Trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid butyl ester; 2-(4-((5-(Trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid, butyl ester; 2-[4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic Acid Butyl Ester; Butyl (RS)-2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoate; Butyl 2-(4-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)propionate; Butyl 2-(4-([5-(trifluoromethyl)-2-pyridinyl]oxy)phenoxy)propanoate; Butyl 2-(4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenoxy)propanoate; Butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate; Butyl 2-[4-(5-Trifluoromethyl-2-pyridyloxy)phenoxy]propionate; Fluazifop butyl; Fluazifop-p butyl; Fusilade; Halokon; Onecide

> <TYPES>
Organic Compound; Pesticide; Organofluoride; Ether; Ester; Herbicide; Household Toxin; Synthetic Compound

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