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83338-21-0 | 1,2-Propanediol, 2-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)-
CAS No: 83338-21-0 Catalog No: AG004STK MDL No:
Product Description
Catalog Number:
AG004STK
Chemical Name:
1,2-Propanediol, 2-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)-
CAS Number:
83338-21-0
Molecular Formula:
C12H12Cl2N2O2
Molecular Weight:
287.1419
IUPAC Name:
2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropane-1,2-diol
InChI:
InChI=1S/C12H12Cl2N2O2/c13-9-1-2-10(11(14)5-9)12(18,7-17)6-16-4-3-15-8-16/h1-5,8,17-18H,6-7H2
InChI Key:
MXAXKOYWAJJUON-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1Cl)Cl)(Cn1cncc1)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.14g/mol
Monoisotopic Mass:
286.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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