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Home > Fluorides > 139520-44-8
139520-44-8 | Leucine, N-[(phenylmethoxy)carbonyl]-2-(trifluoromethyl)-
CAS No: 139520-44-8 Catalog No: AG001B6T MDL No:
Product Description
Catalog Number:
AG001B6T
Chemical Name:
Leucine, N-[(phenylmethoxy)carbonyl]-2-(trifluoromethyl)-
CAS Number:
139520-44-8
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
IUPAC Name:
4-methyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pentanoic acid
InChI:
InChI=1S/C15H18F3NO4/c1-10(2)8-14(12(20)21,15(16,17)18)19-13(22)23-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChI Key:
SHRMXBHWKQDIQP-UHFFFAOYSA-N
SMILES:
CC(C[C@@](C(F)(F)F)(C(=O)O)NC(=O)OCc1ccccc1)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.307g/mol
Monoisotopic Mass:
333.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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