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122008-07-5 | Isovaline, 3-fluoro-
CAS No: 122008-07-5 Catalog No: AG0016M3 MDL No:
Product Description
Catalog Number:
AG0016M3
Chemical Name:
Isovaline, 3-fluoro-
CAS Number:
122008-07-5
Molecular Formula:
C5H10FNO2
Molecular Weight:
135.1368
IUPAC Name:
2-amino-3-fluoro-2-methylbutanoic acid
InChI:
InChI=1S/C5H10FNO2/c1-3(6)5(2,7)4(8)9/h3H,7H2,1-2H3,(H,8,9)
InChI Key:
QWJRVLSGBHODPU-UHFFFAOYSA-N
SMILES:
C[C@@](C(=O)O)(C(F)C)N
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.07g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.138g/mol
Monoisotopic Mass:
135.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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