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1431963-30-2 | 3-(1,3-dioxaindan-5-yloxy)-1-methyl-1H-pyrazol-4-amine hydrochloride
CAS No: 1431963-30-2 Catalog No: AG01FJZV MDL No:
Product Description
Catalog Number:
AG01FJZV
Chemical Name:
3-(1,3-dioxaindan-5-yloxy)-1-methyl-1H-pyrazol-4-amine hydrochloride
CAS Number:
1431963-30-2
Molecular Formula:
C11H12ClN3O3
Molecular Weight:
269.6843
IUPAC Name:
3-(1,3-benzodioxol-5-yloxy)-1-methylpyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C11H11N3O3.ClH/c1-14-5-8(12)11(13-14)17-7-2-3-9-10(4-7)16-6-15-9;/h2-5H,6,12H2,1H3;1H
InChI Key:
PECCIYVNQRORCZ-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)Oc1ccc2c(c1)OCO2)N.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.685g/mol
Monoisotopic Mass:
269.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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