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113600-07-0 | 2,4-Diazabicyclo[4.2.0]octane-3,5-dione, 6-fluoro-8,8-dimethoxy-
CAS No: 113600-07-0 Catalog No: AG000940 MDL No:
Product Description
Catalog Number:
AG000940
Chemical Name:
2,4-Diazabicyclo[4.2.0]octane-3,5-dione, 6-fluoro-8,8-dimethoxy-
CAS Number:
113600-07-0
Molecular Formula:
C8H11FN2O4
Molecular Weight:
218.1823
IUPAC Name:
6-fluoro-8,8-dimethoxy-2,4-diazabicyclo[4.2.0]octane-3,5-dione
InChI:
InChI=1S/C8H11FN2O4/c1-14-8(15-2)3-7(9)4(8)10-6(13)11-5(7)12/h4H,3H2,1-2H3,(H2,10,11,12,13)
InChI Key:
XIGBEMKJRFAOOL-UHFFFAOYSA-N
SMILES:
COC1(OC)CC2(C1NC(=O)NC2=O)F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.184g/mol
Monoisotopic Mass:
218.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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