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114077-00-8 | L-Tyrosine, 2-fluoro-3-methoxy-
CAS No: 114077-00-8 Catalog No: AG000AHF MDL No:
Product Description
Catalog Number:
AG000AHF
Chemical Name:
L-Tyrosine, 2-fluoro-3-methoxy-
CAS Number:
114077-00-8
Molecular Formula:
C10H12FNO4
Molecular Weight:
229.2050
IUPAC Name:
2-amino-3-(2-fluoro-4-hydroxy-3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H12FNO4/c1-16-9-7(13)3-2-5(8(9)11)4-6(12)10(14)15/h2-3,6,13H,4,12H2,1H3,(H,14,15)
InChI Key:
LXAFWZWUIPXSTK-UHFFFAOYSA-N
SMILES:
COc1c(O)ccc(c1F)C[C@@H](C(=O)O)N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.207g/mol
Monoisotopic Mass:
229.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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