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88540-83-4 | Guanidine, [4-[3-[[(cyanoamino)methylene]amino]phenyl]-2-oxazolyl]-
CAS No: 88540-83-4 Catalog No: AG004DSG MDL No:
Product Description
Catalog Number:
AG004DSG
Chemical Name:
Guanidine, [4-[3-[[(cyanoamino)methylene]amino]phenyl]-2-oxazolyl]-
CAS Number:
88540-83-4
Molecular Formula:
C12H11N7O
Molecular Weight:
269.2620
IUPAC Name:
N-cyano-N'-[3-[2-(diaminomethylideneamino)-1,3-oxazol-4-yl]phenyl]methanimidamide
InChI:
InChI=1S/C12H11N7O/c13-6-16-7-17-9-3-1-2-8(4-9)10-5-20-12(18-10)19-11(14)15/h1-5,7H,(H,16,17)(H4,14,15,18,19)
InChI Key:
VUBBGJKRIKYGEW-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1cccc(c1)c1coc(n1)NC(=N)N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.268g/mol
Monoisotopic Mass:
269.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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