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85386-99-8 | 2-Chloro-3-(piperazin-1-yl);pyrazine
CAS No: 85386-99-8 Catalog No: AG004U1J MDL No:MFCD07787272
Product Description
Catalog Number:
AG004U1J
Chemical Name:
2-Chloro-3-(piperazin-1-yl);pyrazine
CAS Number:
85386-99-8
Molecular Formula:
C8H11ClN4
Molecular Weight:
198.6527
MDL Number:
MFCD07787272
IUPAC Name:
2-chloro-3-piperazin-1-ylpyrazine
InChI:
InChI=1S/C8H11ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChI Key:
YSEFEUMYRXRNND-UHFFFAOYSA-N
SMILES:
Clc1nccnc1N1CCNCC1
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:
0.5
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