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89220-62-2 | 1,2-Propanediol, 2-(4-chlorophenyl)-3-(1H-imidazol-1-yl)-
CAS No: 89220-62-2 Catalog No: AG0044PC MDL No:
Product Description
Catalog Number:
AG0044PC
Chemical Name:
1,2-Propanediol, 2-(4-chlorophenyl)-3-(1H-imidazol-1-yl)-
CAS Number:
89220-62-2
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
IUPAC Name:
2-(4-chlorophenyl)-3-imidazol-1-ylpropane-1,2-diol
InChI:
InChI=1S/C12H13ClN2O2/c13-11-3-1-10(2-4-11)12(17,8-16)7-15-6-5-14-9-15/h1-6,9,16-17H,7-8H2
InChI Key:
YGJLLKNNFKBSEC-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)Cl)(Cn1cncc1)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.698g/mol
Monoisotopic Mass:
252.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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