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89250-74-8 | Methanimidamide, N-cyano-N'-[4-(4-pyrimidinyl)phenyl]-
CAS No: 89250-74-8 Catalog No: AG0041UQ MDL No:
Product Description
Catalog Number:
AG0041UQ
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(4-pyrimidinyl)phenyl]-
CAS Number:
89250-74-8
Molecular Formula:
C12H9N5
Molecular Weight:
223.2334
IUPAC Name:
N-cyano-N'-(4-pyrimidin-4-ylphenyl)methanimidamide
InChI:
InChI=1S/C12H9N5/c13-7-15-9-16-11-3-1-10(2-4-11)12-5-6-14-8-17-12/h1-6,8-9H,(H,15,16)
InChI Key:
QUXVLSPUMFNPFD-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1)c1ccncn1
Properties
Complexity:
297
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:
1.4
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