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1215710-51-2 | 4-Chloro-5-nitro-6-piperazin-1-ylpyrimidine
CAS No: 1215710-51-2 Catalog No: AG01FAUY MDL No:
Product Description
Catalog Number:
AG01FAUY
Chemical Name:
4-Chloro-5-nitro-6-piperazin-1-ylpyrimidine
CAS Number:
1215710-51-2
Molecular Formula:
C8H10ClN5O2
Molecular Weight:
243.6503
IUPAC Name:
4-chloro-5-nitro-6-piperazin-1-ylpyrimidine
InChI:
InChI=1S/C8H10ClN5O2/c9-7-6(14(15)16)8(12-5-11-7)13-3-1-10-2-4-13/h5,10H,1-4H2
InChI Key:
FYZWMGHHYNUZBA-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.651g/mol
Monoisotopic Mass:
243.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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