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914203-47-7 | Methyl 3-amino-2-(trifluoromethyl)propionate
CAS No: 914203-47-7 Catalog No: AG003RQU MDL No:MFCD08457648
Product Description
Catalog Number:
AG003RQU
Chemical Name:
Methyl 3-amino-2-(trifluoromethyl)propionate
CAS Number:
914203-47-7
Molecular Formula:
C5H9ClF3NO2
Molecular Weight:
207.5787
MDL Number:
MFCD08457648
IUPAC Name:
methyl 2-(aminomethyl)-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C5H8F3NO2/c1-11-4(10)3(2-9)5(6,7)8/h3H,2,9H2,1H3
InChI Key:
IWNHSPZURKMJSI-UHFFFAOYSA-N
SMILES:
NCC(C(F)(F)F)C(=O)OC.Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.119g/mol
Monoisotopic Mass:
171.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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