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Home > Fluorides > 1380300-84-4
1380300-84-4 | 4-(Piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride
CAS No: 1380300-84-4 Catalog No: AG01F5VY MDL No:
Product Description
Catalog Number:
AG01F5VY
Chemical Name:
4-(Piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride
CAS Number:
1380300-84-4
Molecular Formula:
C9H13Cl2F3N4
Molecular Weight:
305.1275
IUPAC Name:
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
InChI:
InChI=1S/C9H11F3N4.2ClH/c10-9(11,12)7-5-8(15-6-14-7)16-3-1-13-2-4-16;;/h5-6,13H,1-4H2;2*1H
InChI Key:
LBEILWQGOOEWPN-UHFFFAOYSA-N
SMILES:
FC(c1ncnc(c1)N1CCNCC1)(F)F.Cl.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.126g/mol
Monoisotopic Mass:
304.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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