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Home > Fluorides > 1260637-27-1
1260637-27-1 | Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5,5-difluoro-, methyl ester
CAS No: 1260637-27-1 Catalog No: AG000QWP MDL No:
Product Description
Catalog Number:
AG000QWP
Chemical Name:
Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5,5-difluoro-, methyl ester
CAS Number:
1260637-27-1
Molecular Formula:
C12H21F2NO4
Molecular Weight:
281.2962
IUPAC Name:
methyl 5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
InChI:
InChI=1S/C12H21F2NO4/c1-11(2,3)19-10(17)15-8(9(16)18-5)6-7-12(4,13)14/h8H,6-7H2,1-5H3,(H,15,17)
InChI Key:
BPVMYUNTPLCRQN-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H](NC(=O)OC(C)(C)C)CCC(F)(F)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.144g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.3g/mol
Monoisotopic Mass:
281.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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