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Home > Fluorides > 1260007-97-3
1260007-97-3 | Phenylalanine, 3-ethoxy-2,6-difluoro-
CAS No: 1260007-97-3 Catalog No: AG000QPG MDL No:MFCD11519376
Product Description
Catalog Number:
AG000QPG
Chemical Name:
Phenylalanine, 3-ethoxy-2,6-difluoro-
CAS Number:
1260007-97-3
Molecular Formula:
C11H13F2NO3
Molecular Weight:
245.2226
MDL Number:
MFCD11519376
IUPAC Name:
2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid
InChI:
InChI=1S/C11H13F2NO3/c1-2-17-9-4-3-7(12)6(10(9)13)5-8(14)11(15)16/h3-4,8H,2,5,14H2,1H3,(H,15,16)
InChI Key:
JWUOGFHCCLUCBY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1F)C[C@@H](C(=O)O)N)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.226g/mol
Monoisotopic Mass:
245.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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