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1292836-19-1 | 1,4-Butanedione, 1,4-bis(4-chloro-2-fluoro-5-nitrophenyl)-
CAS No: 1292836-19-1 Catalog No: AG000Z1B MDL No:
Product Description
Catalog Number:
AG000Z1B
Chemical Name:
1,4-Butanedione, 1,4-bis(4-chloro-2-fluoro-5-nitrophenyl)-
CAS Number:
1292836-19-1
Molecular Formula:
C16H8Cl2F2N2O6
Molecular Weight:
433.1473
IUPAC Name:
1,4-bis(4-chloro-2-fluoro-5-nitrophenyl)butane-1,4-dione
InChI:
InChI=1S/C16H8Cl2F2N2O6/c17-9-5-11(19)7(3-13(9)21(25)26)15(23)1-2-16(24)8-4-14(22(27)28)10(18)6-12(8)20/h3-6H,1-2H2
InChI Key:
DOXIZFLFGARGMJ-UHFFFAOYSA-N
SMILES:
O=C(c1cc([N+](=O)[O-])c(cc1F)Cl)CCC(=O)c1cc([N+](=O)[O-])c(cc1F)Cl
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.973g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.145g/mol
Monoisotopic Mass:
431.973g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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