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Home > Fluorides > 114077-01-9
114077-01-9 | L-Tyrosine, 2-fluoro-5-methoxy-
CAS No: 114077-01-9 Catalog No: AG000AHE MDL No:
Product Description
Catalog Number:
AG000AHE
Chemical Name:
L-Tyrosine, 2-fluoro-5-methoxy-
CAS Number:
114077-01-9
Molecular Formula:
C10H12FNO4
Molecular Weight:
229.2050
IUPAC Name:
2-amino-3-(2-fluoro-4-hydroxy-5-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H12FNO4/c1-16-9-3-5(2-7(12)10(14)15)6(11)4-8(9)13/h3-4,7,13H,2,12H2,1H3,(H,14,15)
InChI Key:
KSSIQLKAPFWBCQ-UHFFFAOYSA-N
SMILES:
COc1cc(C[C@@H](C(=O)O)N)c(cc1O)F
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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