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83337-78-4 | 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(3-methylbutoxy)propan-2-ol; oxalic acid
CAS No: 83337-78-4 Catalog No: AG0055T4 MDL No:
Product Description
Catalog Number:
AG0055T4
Chemical Name:
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(3-methylbutoxy)propan-2-ol; oxalic acid
CAS Number:
83337-78-4
Molecular Formula:
C19H24Cl2N2O6
Molecular Weight:
447.3097
IUPAC Name:
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(3-methylbutoxy)propan-2-ol;oxalic acid
InChI:
InChI=1S/C17H22Cl2N2O2.C2H2O4/c1-13(2)5-8-23-11-17(22,10-21-7-6-20-12-21)15-4-3-14(18)9-16(15)19;3-1(4)2(5)6/h3-4,6-7,9,12-13,22H,5,8,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
RUOMKCGXLIPFRP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CC(CCOCC(c1ccc(cc1Cl)Cl)(Cn1cncc1)O)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.101g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
447.309g/mol
Monoisotopic Mass:
446.101g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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