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89250-85-1 | Methanimidamide, N-cyano-N'-[4-(5-nitro-1H-imidazol-4-yl)phenyl]-
CAS No: 89250-85-1 Catalog No: AG0041UO MDL No:
Product Description
Catalog Number:
AG0041UO
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(5-nitro-1H-imidazol-4-yl)phenyl]-
CAS Number:
89250-85-1
Molecular Formula:
C11H8N6O2
Molecular Weight:
256.2202
IUPAC Name:
N-cyano-N'-[4-(5-nitro-1H-imidazol-4-yl)phenyl]methanimidamide
InChI:
InChI=1S/C11H8N6O2/c12-5-13-6-14-9-3-1-8(2-4-9)10-11(17(18)19)16-7-15-10/h1-4,6-7H,(H,13,14)(H,15,16)
InChI Key:
KEOOIJFPPCLBQD-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1)c1nc[nH]c1[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.225g/mol
Monoisotopic Mass:
256.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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