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1017781-91-7 | Pyrimidine, 4,6-dichloro-2-(1-piperazinyl)-
CAS No: 1017781-91-7 Catalog No: AG0005IK MDL No:
Product Description
Catalog Number:
AG0005IK
Chemical Name:
Pyrimidine, 4,6-dichloro-2-(1-piperazinyl)-
CAS Number:
1017781-91-7
Molecular Formula:
C8H10Cl2N4
Molecular Weight:
233.0978
IUPAC Name:
4,6-dichloro-2-piperazin-1-ylpyrimidine
InChI:
InChI=1S/C8H10Cl2N4/c9-6-5-7(10)13-8(12-6)14-3-1-11-2-4-14/h5,11H,1-4H2
InChI Key:
BNMHSJKRWZNYTF-UHFFFAOYSA-N
SMILES:
Clc1nc(nc(c1)Cl)N1CCNCC1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.096g/mol
Monoisotopic Mass:
232.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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