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88570-24-5 | 2,4-Pentanedione, 3-[2,2-dichloro-1-(1H-imidazol-1-yl)ethenyl]-
CAS No: 88570-24-5 Catalog No: AG004BVX MDL No:
Product Description
Catalog Number:
AG004BVX
Chemical Name:
2,4-Pentanedione, 3-[2,2-dichloro-1-(1H-imidazol-1-yl)ethenyl]-
CAS Number:
88570-24-5
Molecular Formula:
C10H10Cl2N2O2
Molecular Weight:
261.1046
IUPAC Name:
3-(2,2-dichloro-1-imidazol-1-ylethenyl)pentane-2,4-dione
InChI:
InChI=1S/C10H10Cl2N2O2/c1-6(15)8(7(2)16)9(10(11)12)14-4-3-13-5-14/h3-5,8H,1-2H3
InChI Key:
VHJSRPCKAPFAAT-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=C(Cl)Cl)n1cncc1)C(=O)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.102g/mol
Monoisotopic Mass:
260.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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