Haloxyfop Impurity 3

CAT: 1299-RM-H012403-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-H012403-01Size:10 mg

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CAS Number

658066-44-5

Synonyms

2- (3-chloro-5- (trifluoromethyl) pyridin-2-yl) ethan-1-amine

Molecular Formula

C8H8ClF3N2

Molecular Weight

224.61

Target Alternative Name

Haloxyfop

Product Name Synonym

2- (3-chloro-5- (trifluoromethyl) pyridin-2-yl) ethan-1-amine

Chemical Information

3-Chloro-5-(trifluoromethyl)-2-pyridineethanamine

CAS Number	658066-44-5
PubChem CID	11961968
IUPAC Name	2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
Molecular Formula	C8H8ClF3N2
Molecular Weight	224.61
XLogP	1.7
Topological Polar Surface Area	38.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	186

SMILES

C1=C(C=NC(=C1Cl)CCN)C(F)(F)F

InChI

InChI=1S/C8H8ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1-2,13H2

InChIKey

BEESBQNARXNIDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 658066-44-5

CID: 11961968

Formula: C8H8ClF3N2

MW: 224.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.61
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	224.0328104
Monoisotopic Mass	224.0328104
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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RM-H012401-01	Haloxyfop-D4
RM-H012402-01	Haloxyfop Methyl
RG-A260879-01	Haloxyfop-R-Methyl
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