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Home > Fluorides > 1213052-51-7
1213052-51-7 | N-Boc-2,3-Difluoro-L-tyrosine
CAS No: 1213052-51-7 Catalog No: AG01FF5E MDL No:
Product Description
Catalog Number:
AG01FF5E
Chemical Name:
N-Boc-2,3-Difluoro-L-tyrosine
CAS Number:
1213052-51-7
Molecular Formula:
C14H17F2NO5
Molecular Weight:
317.2853
IUPAC Name:
(2S)-3-(2,3-difluoro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17F2NO5/c1-14(2,3)22-13(21)17-8(12(19)20)6-7-4-5-9(18)11(16)10(7)15/h4-5,8,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t8-/m0/s1
InChI Key:
AQIWKONTLIVVTR-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(c(c1F)F)O)NC(=O)OC(C)(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
317.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.289g/mol
Monoisotopic Mass:
317.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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