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Home > Fluorides > 127862-88-8
127862-88-8 | L-Phenylalanine, 2-fluoro-N-[(phenylmethoxy)carbonyl]-
CAS No: 127862-88-8 Catalog No: AG000XHU MDL No:MFCD00797567
Product Description
Catalog Number:
AG000XHU
Chemical Name:
L-Phenylalanine, 2-fluoro-N-[(phenylmethoxy)carbonyl]-
CAS Number:
127862-88-8
Molecular Formula:
C17H16FNO4
Molecular Weight:
317.3116
MDL Number:
MFCD00797567
IUPAC Name:
(2S)-3-(2-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C17H16FNO4/c18-14-9-5-4-8-13(14)10-15(16(20)21)19-17(22)23-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m0/s1
InChI Key:
GYJREHMTTLYKRJ-HNNXBMFYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1F)OCc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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