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70311-45-4 | Guanidine, (((3,5-diamino-6-chloropyrazinyl)carbonyl)oxy)-
CAS No: 70311-45-4 Catalog No: AG005JVW MDL No:
Product Description
Catalog Number:
AG005JVW
Chemical Name:
Guanidine, (((3,5-diamino-6-chloropyrazinyl)carbonyl)oxy)-
CAS Number:
70311-45-4
Molecular Formula:
C6H8ClN7O2
Molecular Weight:
245.6264
IUPAC Name:
(diaminomethylideneamino) 3,5-diamino-6-chloropyrazine-2-carboxylate
InChI:
InChI=1S/C6H8ClN7O2/c7-2-4(9)13-3(8)1(12-2)5(15)16-14-6(10)11/h(H4,8,9,13)(H4,10,11,14)
InChI Key:
LCEZJGYKKVYFPT-UHFFFAOYSA-N
SMILES:
NC(=N)NOC(=O)c1nc(Cl)c(nc1N)N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.627g/mol
Monoisotopic Mass:
245.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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