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75536-36-6 | 1H-Imidazole-1-ethanol,b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-,hydrochloride (1:1)
CAS No: 75536-36-6 Catalog No: AG005AST MDL No:
Product Description
Catalog Number:
AG005AST
Chemical Name:
1H-Imidazole-1-ethanol,b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-,hydrochloride (1:1)
CAS Number:
75536-36-6
Molecular Formula:
C15H20Cl2N2O2
Molecular Weight:
331.2375
IUPAC Name:
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-ol;hydrochloride
InChI:
InChI=1S/C15H19ClN2O2.ClH/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12;/h4-10,13-14,19H,1-3H3;1H
InChI Key:
MMVDPROQZNDCDP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OC(C(C(C)(C)C)O)n1cncc1.Cl
EC Number:
278-253-3
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.237g/mol
Monoisotopic Mass:
330.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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