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457653-01-9 | (S)-alpha-Methyl-3-iodophenylalanine (>98%, >98%ee)
CAS No: 457653-01-9 Catalog No: AG00DCH5 MDL No:
Product Description
Catalog Number:
AG00DCH5
Chemical Name:
(S)-alpha-Methyl-3-iodophenylalanine (>98%, >98%ee)
CAS Number:
457653-01-9
Molecular Formula:
C10H12INO2
Molecular Weight:
305.1122
IUPAC Name:
(2S)-2-amino-3-(3-iodophenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C10H12INO2/c1-10(12,9(13)14)6-7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
InChI Key:
RCYLCZQGMUWCBV-JTQLQIEISA-N
SMILES:
Ic1cccc(c1)C[C@@](C(=O)O)(N)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.115g/mol
Monoisotopic Mass:
304.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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