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1260644-56-1 | Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, methyl ester
CAS No: 1260644-56-1 Catalog No: AG000QYM MDL No:
Product Description
Catalog Number:
AG000QYM
Chemical Name:
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, methyl ester
CAS Number:
1260644-56-1
Molecular Formula:
C10H18FNO4
Molecular Weight:
235.2526
IUPAC Name:
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C10H18FNO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)
InChI Key:
RQZWSZHMGASCML-UHFFFAOYSA-N
SMILES:
FCCC(C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.255g/mol
Monoisotopic Mass:
235.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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