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1706428-57-0 | 6-Chloro-2,3-difluoro-DL-phenylalanine
CAS No: 1706428-57-0 Catalog No: AG01FCSY MDL No:
Product Description
Catalog Number:
AG01FCSY
Chemical Name:
6-Chloro-2,3-difluoro-DL-phenylalanine
CAS Number:
1706428-57-0
Molecular Formula:
C9H8ClF2NO2
Molecular Weight:
235.6151
IUPAC Name:
2-amino-3-(6-chloro-2,3-difluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8ClF2NO2/c10-5-1-2-6(11)8(12)4(5)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)
InChI Key:
IFZQIOJLTTYTIK-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1c(Cl)ccc(c1F)F)N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.615g/mol
Monoisotopic Mass:
235.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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