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1431964-25-8 | 1-methyl-3-phenoxy-1H-pyrazol-4-amine hydrochloride
CAS No: 1431964-25-8 Catalog No: AG01FK7E MDL No:
Product Description
Catalog Number:
AG01FK7E
Chemical Name:
1-methyl-3-phenoxy-1H-pyrazol-4-amine hydrochloride
CAS Number:
1431964-25-8
Molecular Formula:
C10H12ClN3O
Molecular Weight:
225.6748
IUPAC Name:
1-methyl-3-phenoxypyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C10H11N3O.ClH/c1-13-7-9(11)10(12-13)14-8-5-3-2-4-6-8;/h2-7H,11H2,1H3;1H
InChI Key:
KAOLAVSZESDTTL-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)Oc1ccccc1)N.Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.676g/mol
Monoisotopic Mass:
225.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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