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Home > Fluorides > 113689-61-5
113689-61-5 | 2-Propenoic acid, 3-fluoro-3-nitro-, ethyl ester
CAS No: 113689-61-5 Catalog No: AG0009CL MDL No:
Product Description
Catalog Number:
AG0009CL
Chemical Name:
2-Propenoic acid, 3-fluoro-3-nitro-, ethyl ester
CAS Number:
113689-61-5
Molecular Formula:
C5H6FNO4
Molecular Weight:
163.1038
IUPAC Name:
ethyl 3-fluoro-3-nitroprop-2-enoate
InChI:
InChI=1S/C5H6FNO4/c1-2-11-5(8)3-4(6)7(9)10/h3H,2H2,1H3
InChI Key:
NWZVDVFNBYPHNZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=CC(=O)OCC)F
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.104g/mol
Monoisotopic Mass:
163.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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