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83337-80-8 | 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxy-propan-2-ol; oxalic acid
CAS No: 83337-80-8 Catalog No: AG004X96 MDL No:
Product Description
Catalog Number:
AG004X96
Chemical Name:
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxy-propan-2-ol; oxalic acid
CAS Number:
83337-80-8
Molecular Formula:
C17H18Cl2N2O6
Molecular Weight:
417.2406
IUPAC Name:
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol;oxalic acid
InChI:
InChI=1S/C15H16Cl2N2O2.C2H2O4/c1-2-7-21-10-15(20,9-19-6-5-18-11-19)13-4-3-12(16)8-14(13)17;3-1(4)2(5)6/h2-6,8,11,20H,1,7,9-10H2;(H,3,4)(H,5,6)
InChI Key:
MROXBXJECGWFLI-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.C=CCOCC(c1ccc(cc1Cl)Cl)(Cn1cncc1)O
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.054g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
417.239g/mol
Monoisotopic Mass:
416.054g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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