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136207-26-6 | (R)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid
CAS No: 136207-26-6 Catalog No: AG003C8G MDL No:MFCD00151892
Product Description
Catalog Number:
AG003C8G
Chemical Name:
(R)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid
CAS Number:
136207-26-6
Molecular Formula:
C14H14F5NO4
Molecular Weight:
355.2573
MDL Number:
MFCD00151892
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
InChI:
InChI=1S/C14H14F5NO4/c1-14(2,3)24-13(23)20-6(12(21)22)4-5-7(15)9(17)11(19)10(18)8(5)16/h6H,4H2,1-3H3,(H,20,23)(H,21,22)/t6-/m1/s1
InChI Key:
UZDKQMIDSLETST-ZCFIWIBFSA-N
SMILES:
OC(=O)[C@@H](Cc1c(F)c(F)c(c(c1F)F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
355.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.261g/mol
Monoisotopic Mass:
355.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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