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89250-65-7 | Methanimidamide, N-cyano-N'-[4-(3-pyridinyl)phenyl]-
CAS No: 89250-65-7 Catalog No: AG004259 MDL No:
Product Description
Catalog Number:
AG004259
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(3-pyridinyl)phenyl]-
CAS Number:
89250-65-7
Molecular Formula:
C13H10N4
Molecular Weight:
222.2453
IUPAC Name:
N-cyano-N'-(4-pyridin-3-ylphenyl)methanimidamide
InChI:
InChI=1S/C13H10N4/c14-9-16-10-17-13-5-3-11(4-6-13)12-2-1-7-15-8-12/h1-8,10H,(H,16,17)
InChI Key:
VOUKMDWSFOCBNC-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1)c1cccnc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.251g/mol
Monoisotopic Mass:
222.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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