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179756-90-2 | Pyrimidine, 4-chloro-2-(1-piperazinyl)-
CAS No: 179756-90-2 Catalog No: AG00278C MDL No:
Product Description
Catalog Number:
AG00278C
Chemical Name:
Pyrimidine, 4-chloro-2-(1-piperazinyl)-
CAS Number:
179756-90-2
Molecular Formula:
C8H11ClN4
Molecular Weight:
198.6527
IUPAC Name:
4-chloro-2-piperazin-1-ylpyrimidine
InChI:
InChI=1S/C8H11ClN4/c9-7-1-2-11-8(12-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChI Key:
MQSYDNGEAVHZAN-UHFFFAOYSA-N
SMILES:
Clc1ccnc(n1)N1CCNCC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.654g/mol
Monoisotopic Mass:
198.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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