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Profluralin

CAT: 0804-HY-135466-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135466-01Size:50 mg
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Description
Profluralin is an aromatic hydrocarbon based herbicide[1].
CAS Number
26399-36-0
UNSPSC
12352005
Hazard Statement
H302-H319-H410
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/profluralin.html
Solubility
10 mM in DMSO
Smiles
FC(C1=CC([N+]([O-])=O)=C(N(CC2CC2)CCC)C([N+]([O-])=O)=C1)(F)F
Molecular Formula
C14H16F3N3O4
Molecular Weight
347.29
Precautions
P264-P270-P273-P280-P305+P351+P338-P330-P391-P501
References & Citations
[1]Stanley Tocker, et al. Asymmetrical triazine salts. US4632694A.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Profluralin

Profluralin is a C-nitro compound.

CAS Number26399-36-0
PubChem CID33500
IUPAC NameN-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
Molecular FormulaC14H16F3N3O4
Molecular Weight347.29
XLogP5.2
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity449
SMILES
CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
InChIKey
ITVQAKZNYJEWKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Profluralin
CAS: 26399-36-0
CID: 33500
Formula: C14H16F3N3O4
MW: 347.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.29
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass347.10929049
Monoisotopic Mass347.10929049
Topological Polar Surface Area94.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T21209-01Profluralin
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