Fluralaner Impurity 71

CAT: 1299-RM-F101071-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F101071-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

753-90-2

Synonyms

2,2,2-trifluoroethan-1-amine

Molecular Formula

C2H4F3N

Molecular Weight

99.06

Target Alternative Name

Fluralaner

Product Name Synonym

2,2,2-trifluoroethan-1-amine

Chemical Information

Ethanamine, 2,2,2-trifluoro-

CAS Number	753-90-2
PubChem CID	9773
IUPAC Name	2,2,2-trifluoroethanamine
Molecular Formula	C2H4F3N
Molecular Weight	99.06
XLogP	0.2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	38

SMILES

C(C(F)(F)F)N

InChI

InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2

InChIKey

KIPSRYDSZQRPEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 753-90-2

CID: 9773

Formula: C2H4F3N

MW: 99.06

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	99.06
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	99.02958362
Monoisotopic Mass	99.02958362
Topological Polar Surface Area	26 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	38.5
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