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1458593-92-4 | 1-ethyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazol-4-amine hydrochloride
CAS No: 1458593-92-4 Catalog No: AG01FK1O MDL No:
Product Description
Catalog Number:
AG01FK1O
Chemical Name:
1-ethyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazol-4-amine hydrochloride
CAS Number:
1458593-92-4
Molecular Formula:
C8H13ClF3N3O
Molecular Weight:
259.6565
IUPAC Name:
1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C8H12F3N3O.ClH/c1-2-14-5-6(12)7(13-14)15-4-3-8(9,10)11;/h5H,2-4,12H2,1H3;1H
InChI Key:
HOWPXCXNOBZSQL-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1)N)OCCC(F)(F)F.Cl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.657g/mol
Monoisotopic Mass:
259.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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