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Home > Imidazoles > 1333745-58-6
1333745-58-6 | 4-[2-(1H-imidazol-1-yl)ethoxy]-3,5-dimethylbenzoic acid hydrochloride
CAS No: 1333745-58-6 Catalog No: AG01AJTG MDL No:MFCD19686394
Product Description
Catalog Number:
AG01AJTG
Chemical Name:
4-[2-(1H-imidazol-1-yl)ethoxy]-3,5-dimethylbenzoic acid hydrochloride
CAS Number:
1333745-58-6
Molecular Formula:
C14H17ClN2O3
Molecular Weight:
296.7494
MDL Number:
MFCD19686394
IUPAC Name:
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid;hydrochloride
InChI:
InChI=1S/C14H16N2O3.ClH/c1-10-7-12(14(17)18)8-11(2)13(10)19-6-5-16-4-3-15-9-16;/h3-4,7-9H,5-6H2,1-2H3,(H,17,18);1H
InChI Key:
ROXAZKHQIQYIPU-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1OCCn1cncc1)C)C(=O)O.Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.751g/mol
Monoisotopic Mass:
296.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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