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15895-15-5 | Butanoic acid, 4-fluoro-4,4-dinitro-
CAS No: 15895-15-5 Catalog No: AG001R1D MDL No:
Product Description
Catalog Number:
AG001R1D
Chemical Name:
Butanoic acid, 4-fluoro-4,4-dinitro-
CAS Number:
15895-15-5
Molecular Formula:
C4H5FN2O6
Molecular Weight:
196.0907
IUPAC Name:
4-fluoro-4,4-dinitrobutanoic acid
InChI:
InChI=1S/C4H5FN2O6/c5-4(6(10)11,7(12)13)2-1-3(8)9/h1-2H2,(H,8,9)
InChI Key:
MQFRQOPGVMAEFJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])F
NSC Number:
76729
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.09g/mol
Monoisotopic Mass:
196.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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