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1017789-57-9 | Benzeneacetic acid, α-acetyl-4-fluoro-2-nitro-, ethyl ester
CAS No: 1017789-57-9 Catalog No: AG0005JZ MDL No:
Product Description
Catalog Number:
AG0005JZ
Chemical Name:
Benzeneacetic acid, α-acetyl-4-fluoro-2-nitro-, ethyl ester
CAS Number:
1017789-57-9
Molecular Formula:
C12H12FNO5
Molecular Weight:
269.2258
IUPAC Name:
ethyl 2-(4-fluoro-2-nitrophenyl)-3-oxobutanoate
InChI:
InChI=1S/C12H12FNO5/c1-3-19-12(16)11(7(2)15)9-5-4-8(13)6-10(9)14(17)18/h4-6,11H,3H2,1-2H3
InChI Key:
WHFHDPRMSQTXTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1[N+](=O)[O-])F)C(=O)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.228g/mol
Monoisotopic Mass:
269.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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