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Home > Fluorides > 1017294-05-1
1017294-05-1 | D-Phenylalanine, N-acetyl-2,5-difluoro-, methyl ester
CAS No: 1017294-05-1 Catalog No: AG0005BH MDL No:
Product Description
Catalog Number:
AG0005BH
Chemical Name:
D-Phenylalanine, N-acetyl-2,5-difluoro-, methyl ester
CAS Number:
1017294-05-1
Molecular Formula:
C12H13F2NO3
Molecular Weight:
257.2333
IUPAC Name:
methyl (2R)-2-acetamido-3-(2,5-difluorophenyl)propanoate
InChI:
InChI=1S/C12H13F2NO3/c1-7(16)15-11(12(17)18-2)6-8-5-9(13)3-4-10(8)14/h3-5,11H,6H2,1-2H3,(H,15,16)/t11-/m1/s1
InChI Key:
MUYYHZGDYKCCAY-LLVKDONJSA-N
SMILES:
COC(=O)[C@@H](Cc1cc(F)ccc1F)NC(=O)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.237g/mol
Monoisotopic Mass:
257.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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