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Home > Fluorides > 114872-80-9
114872-80-9 | D-Tryptophan, N-acetyl-5-fluoro-, methyl ester
CAS No: 114872-80-9 Catalog No: AG000FE5 MDL No:MFCD12198868
Product Description
Catalog Number:
AG000FE5
Chemical Name:
D-Tryptophan, N-acetyl-5-fluoro-, methyl ester
CAS Number:
114872-80-9
Molecular Formula:
C14H15FN2O3
Molecular Weight:
278.2789
MDL Number:
MFCD12198868
IUPAC Name:
methyl (2R)-2-acetamido-3-(5-fluoro-1H-indol-3-yl)propanoate
InChI:
InChI=1S/C14H15FN2O3/c1-8(18)17-13(14(19)20-2)5-9-7-16-12-4-3-10(15)6-11(9)12/h3-4,6-7,13,16H,5H2,1-2H3,(H,17,18)/t13-/m1/s1
InChI Key:
RSYLOHPJSHEYDP-CYBMUJFWSA-N
SMILES:
COC(=O)[C@@H](Cc1c[nH]c2c1cc(F)cc2)NC(=O)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.283g/mol
Monoisotopic Mass:
278.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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