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Home > Fluorides > 147124-35-4
147124-35-4 | Propanedioic acid, 2-(4-fluoro-2-nitrophenyl)-, 1,3-dimethyl ester
CAS No: 147124-35-4 Catalog No: AG001EMR MDL No:
Product Description
Catalog Number:
AG001EMR
Chemical Name:
Propanedioic acid, 2-(4-fluoro-2-nitrophenyl)-, 1,3-dimethyl ester
CAS Number:
147124-35-4
Molecular Formula:
C11H10FNO6
Molecular Weight:
271.1986
IUPAC Name:
diethyl 2-(4-fluoro-2-nitrophenyl)propanedioate
InChI:
InChI=1S/C13H14FNO6/c1-3-20-12(16)11(13(17)21-4-2)9-6-5-8(14)7-10(9)15(18)19/h5-7,11H,3-4H2,1-2H3
InChI Key:
XEDHNTPQPKCZSF-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1[N+](=O)[O-])F)C(=O)OC
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.254g/mol
Monoisotopic Mass:
299.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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