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89250-48-6 | Methanimidamide, N-cyano-N'-[4-(1-methyl-1H-imidazol-4-yl)phenyl]-
CAS No: 89250-48-6 Catalog No: AG0087XO MDL No:
Product Description
Catalog Number:
AG0087XO
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(1-methyl-1H-imidazol-4-yl)phenyl]-
CAS Number:
89250-48-6
Molecular Formula:
C12H11N5
Molecular Weight:
225.2492
IUPAC Name:
N-cyano-N'-[4-(1-methylimidazol-4-yl)phenyl]methanimidamide
InChI:
InChI=1S/C12H11N5/c1-17-6-12(16-9-17)10-2-4-11(5-3-10)15-8-14-7-13/h2-6,8-9H,1H3,(H,14,15)
InChI Key:
JRMMLYUHPPANJL-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1)c1ncn(c1)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.255g/mol
Monoisotopic Mass:
225.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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