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Home > Fluorides > 139520-43-7
139520-43-7 | Alanine, 3,3,3-trifluoro-2-methyl-N-[(phenylmethoxy)carbonyl]-
CAS No: 139520-43-7 Catalog No: AG001B6U MDL No:MFCD07777230
Product Description
Catalog Number:
AG001B6U
Chemical Name:
Alanine, 3,3,3-trifluoro-2-methyl-N-[(phenylmethoxy)carbonyl]-
CAS Number:
139520-43-7
Molecular Formula:
C12H12F3NO4
Molecular Weight:
291.2232
MDL Number:
MFCD07777230
IUPAC Name:
3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C12H12F3NO4/c1-11(9(17)18,12(13,14)15)16-10(19)20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,19)(H,17,18)
InChI Key:
RYJHDHKGSWTBEV-UHFFFAOYSA-N
SMILES:
O=C(N[C@@](C(F)(F)F)(C(=O)O)C)OCc1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.226g/mol
Monoisotopic Mass:
291.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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