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Home > Fluorides > 126693-47-8
126693-47-8 | Phenylalanine, 3-fluoro-N-[(phenylmethoxy)carbonyl]-
CAS No: 126693-47-8 Catalog No: AG000T3I MDL No:
Product Description
Catalog Number:
AG000T3I
Chemical Name:
Phenylalanine, 3-fluoro-N-[(phenylmethoxy)carbonyl]-
CAS Number:
126693-47-8
Molecular Formula:
C17H16FNO4
Molecular Weight:
317.3116
IUPAC Name:
3-(3-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C17H16FNO4/c18-14-8-4-7-13(9-14)10-15(16(20)21)19-17(22)23-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,19,22)(H,20,21)
InChI Key:
PTHVXSGNDJTPEX-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.316g/mol
Monoisotopic Mass:
317.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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