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10068-52-7 | Alanine, 3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]-
CAS No: 10068-52-7 Catalog No: AG0002MF MDL No:MFCD10697679
Product Description
Catalog Number:
AG0002MF
Chemical Name:
Alanine, 3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]-
CAS Number:
10068-52-7
Molecular Formula:
C11H10F3NO4
Molecular Weight:
277.1966
MDL Number:
MFCD10697679
IUPAC Name:
3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C11H10F3NO4/c12-11(13,14)8(9(16)17)15-10(18)19-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)
InChI Key:
JBNIYYRTJUAMKZ-UHFFFAOYSA-N
SMILES:
O=C(N[C@@H](C(F)(F)F)C(=O)O)OCc1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.199g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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