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Home > Fluorides > 1779128-39-0
1779128-39-0 | 4-(Pyrrolidin-3-yloxy)-6-(trifluoromethyl)pyrimidine hydrochloride
CAS No: 1779128-39-0 Catalog No: AG01F5L4 MDL No:
Product Description
Catalog Number:
AG01F5L4
Chemical Name:
4-(Pyrrolidin-3-yloxy)-6-(trifluoromethyl)pyrimidine hydrochloride
CAS Number:
1779128-39-0
Molecular Formula:
C9H11ClF3N3O
Molecular Weight:
269.6513
IUPAC Name:
4-pyrrolidin-3-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride
InChI:
InChI=1S/C9H10F3N3O.ClH/c10-9(11,12)7-3-8(15-5-14-7)16-6-1-2-13-4-6;/h3,5-6,13H,1-2,4H2;1H
InChI Key:
BOBFMRIKFCJVQL-UHFFFAOYSA-N
SMILES:
FC(c1ncnc(c1)OC1CNCC1)(F)F.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.652g/mol
Monoisotopic Mass:
269.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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