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Home > Fluorides > 139112-62-2
139112-62-2 | Glutamic acid, 3,3-difluoro-, bis(1,1-dimethylethyl) ester (9CI)
CAS No: 139112-62-2 Catalog No: AG001AB8 MDL No:
Product Description
Catalog Number:
AG001AB8
Chemical Name:
Glutamic acid, 3,3-difluoro-, bis(1,1-dimethylethyl) ester (9CI)
CAS Number:
139112-62-2
Molecular Formula:
C13H23F2NO4
Molecular Weight:
295.3228
IUPAC Name:
ditert-butyl 2-amino-3,3-difluoropentanedioate
InChI:
InChI=1S/C13H23F2NO4/c1-11(2,3)19-8(17)7-13(14,15)9(16)10(18)20-12(4,5)6/h9H,7,16H2,1-6H3
InChI Key:
AJNNGTWMYIGNPC-UHFFFAOYSA-N
SMILES:
O=C(CC([C@@H](C(=O)OC(C)(C)C)N)(F)F)OC(C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.16g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.327g/mol
Monoisotopic Mass:
295.16g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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