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89260-64-0 | Methanimidamide, N-cyano-N'-[4-(5-pyrimidinyl)phenyl]-
CAS No: 89260-64-0 Catalog No: AG0041H6 MDL No:
Product Description
Catalog Number:
AG0041H6
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(5-pyrimidinyl)phenyl]-
CAS Number:
89260-64-0
Molecular Formula:
C12H9N5
Molecular Weight:
223.2334
IUPAC Name:
N-cyano-N'-(4-pyrimidin-5-ylphenyl)methanimidamide
InChI:
InChI=1S/C12H9N5/c13-7-16-9-17-12-3-1-10(2-4-12)11-5-14-8-15-6-11/h1-6,8-9H,(H,16,17)
InChI Key:
YQNOKAUPFRMMPB-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1)c1cncnc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.239g/mol
Monoisotopic Mass:
223.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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