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199457-62-0 | 2-Furancarboxylic acid, 5-(2-chlorophenyl)-, 2,4-dinitrophenyl ester
CAS No: 199457-62-0 Catalog No: AG002C4X MDL No:
Product Description
Catalog Number:
AG002C4X
Chemical Name:
2-Furancarboxylic acid, 5-(2-chlorophenyl)-, 2,4-dinitrophenyl ester
CAS Number:
199457-62-0
Molecular Formula:
C17H9ClN2O7
Molecular Weight:
388.7156
IUPAC Name:
(2,4-dinitrophenyl) 5-(2-chlorophenyl)furan-2-carboxylate
InChI:
InChI=1S/C17H9ClN2O7/c18-12-4-2-1-3-11(12)14-7-8-16(26-14)17(21)27-15-6-5-10(19(22)23)9-13(15)20(24)25/h1-9H
InChI Key:
MXTVDKPCJAVYCE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)c1ccccc1Cl)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.01g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.716g/mol
Monoisotopic Mass:
388.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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