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114487-86-4 | Propanoic acid, 3-amino-2-fluoro-2-methyl-, (2S)-
CAS No: 114487-86-4 Catalog No: AG000EJN MDL No:
Product Description
Catalog Number:
AG000EJN
Chemical Name:
Propanoic acid, 3-amino-2-fluoro-2-methyl-, (2S)-
CAS Number:
114487-86-4
Molecular Formula:
C4H8FNO2
Molecular Weight:
121.1102
IUPAC Name:
3-amino-2-fluoro-2-methylpropanoic acid
InChI:
InChI=1S/C4H8FNO2/c1-4(5,2-6)3(7)8/h2,6H2,1H3,(H,7,8)
InChI Key:
JWMSJEUCWRRHRY-UHFFFAOYSA-N
SMILES:
C[C@@](C(=O)O)(CN)F
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.054g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
121.111g/mol
Monoisotopic Mass:
121.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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