Fluoromethylcholine chloride

CAT: 0926-FF59594-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FF59594-01Size:100 mg

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CAS Number

459424-38-5

MDL Number

MFCD07995053

Smiles

C[N+] (C) (CCO) CF.[Cl-]

Molecular Formula

C5H13ClFNO

Molecular Weight

157.61 g/mol

Controlled

Chemical Information

Fluorocholine chloride

CAS Number	459424-38-5
PubChem CID	404591
IUPAC Name	fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride
Molecular Formula	C5H13ClFNO
Molecular Weight	157.61
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	65

SMILES

C[N+](C)(CCO)CF.[Cl-]

InChI

InChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1

InChIKey

QJEHIIJVWXGJAB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 459424-38-5

CID: 404591

Formula: C5H13ClFNO

MW: 157.61

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	157.61
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	157.0669699
Monoisotopic Mass	157.0669699
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	65.4
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
278208-01	Fluoromethylcholine chloride
TRC-F598258-10MG	Fluoromethylcholine Chloride (>90%)
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