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1288991-81-0 | 5-bromo-2-chloro-4-(piperazin-1-yl)pyrimidine
CAS No: 1288991-81-0 Catalog No: AG01FAAI MDL No:
Product Description
Catalog Number:
AG01FAAI
Chemical Name:
5-bromo-2-chloro-4-(piperazin-1-yl)pyrimidine
CAS Number:
1288991-81-0
Molecular Formula:
C8H10BrClN4
Molecular Weight:
277.5488
IUPAC Name:
5-bromo-2-chloro-4-piperazin-1-ylpyrimidine
InChI:
InChI=1S/C8H10BrClN4/c9-6-5-12-8(10)13-7(6)14-3-1-11-2-4-14/h5,11H,1-4H2
InChI Key:
YWDMVRARYLPKFO-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1N1CCNCC1)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.978g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.55g/mol
Monoisotopic Mass:
275.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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