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109544-45-8 | 2-(3-methoxy-2h-1,4-benzodioxin-3-yl)-4,5-dihydro-1h-imidazole,hydrochloride
CAS No: 109544-45-8 Catalog No: AG0039EL MDL No:
Product Description
Catalog Number:
AG0039EL
Chemical Name:
2-(3-methoxy-2h-1,4-benzodioxin-3-yl)-4,5-dihydro-1h-imidazole,hydrochloride
CAS Number:
109544-45-8
Molecular Formula:
C12H15ClN2O3
Molecular Weight:
270.7121
IUPAC Name:
2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C12H14N2O3.ClH/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12;/h2-5H,6-8H2,1H3,(H,13,14);1H
InChI Key:
IMPOOMVZVWKSAP-UHFFFAOYSA-N
SMILES:
COC1(COc2c(O1)cccc2)C1=NCCN1.Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.713g/mol
Monoisotopic Mass:
270.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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