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167993-00-2 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2,4-difluoro-
CAS No: 167993-00-2 Catalog No: AG001XQD MDL No:MFCD07371996
Product Description
Catalog Number:
AG001XQD
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2,4-difluoro-
CAS Number:
167993-00-2
Molecular Formula:
C14H17F2NO4
Molecular Weight:
301.2859
MDL Number:
MFCD07371996
IUPAC Name:
(2S)-3-(2,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key:
JNELGIOSRKVOJY-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1F)F
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
301.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.29g/mol
Monoisotopic Mass:
301.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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