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89250-68-0 | Methanimidamide, N-cyano-N'-[4-(1H-imidazol-4-yl)-2-methoxyphenyl]-
CAS No: 89250-68-0 Catalog No: AG0041UR MDL No:
Product Description
Catalog Number:
AG0041UR
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(1H-imidazol-4-yl)-2-methoxyphenyl]-
CAS Number:
89250-68-0
Molecular Formula:
C12H11N5O
Molecular Weight:
241.2486
IUPAC Name:
N-cyano-N'-[4-(1H-imidazol-5-yl)-2-methoxyphenyl]methanimidamide
InChI:
InChI=1S/C12H11N5O/c1-18-12-4-9(11-5-14-7-17-11)2-3-10(12)16-8-15-6-13/h2-5,7-8H,1H3,(H,14,17)(H,15,16)
InChI Key:
IPJBULQYOCQODU-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1OC)c1c[nH]cn1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.254g/mol
Monoisotopic Mass:
241.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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