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Methylamine trifluoroacetate

CAT: 0926-HEA32629-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-HEA32629-01Size:50 g
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CAS Number
107326-29-4
Smiles
CN.C (=O) (C (F) (F) F) O
Molecular Formula
C3H6F3NO2
Molecular Weight
145.08 g/mol
Controlled
Yes

Chemical Information

Methylamine Trifluoroacetate
CAS Number107326-29-4
PubChem CID87969711
IUPAC Namemethylamino 2,2,2-trifluoroacetate
Molecular FormulaC3H4F3NO2
Molecular Weight143.06
XLogP1
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity110
SMILES
CNOC(=O)C(F)(F)F
InChI
InChI=1S/C3H4F3NO2/c1-7-9-2(8)3(4,5)6/h7H,1H3
InChIKey
CCXHPPYZHXPNNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylamine Trifluoroacetate
CAS: 107326-29-4
CID: 87969711
Formula: C3H4F3NO2
MW: 143.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.06
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass143.01941286
Monoisotopic Mass143.01941286
Topological Polar Surface Area38.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity110
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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