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89250-53-3 | Methanimidamide, N-cyano-N'-[4-(2-methyl-5-oxazolyl)phenyl]-
CAS No: 89250-53-3 Catalog No: AG00425A MDL No:
Product Description
Catalog Number:
AG00425A
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(2-methyl-5-oxazolyl)phenyl]-
CAS Number:
89250-53-3
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
IUPAC Name:
N-cyano-N'-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]methanimidamide
InChI:
InChI=1S/C12H10N4O/c1-9-15-6-12(17-9)10-2-4-11(5-3-10)16-8-14-7-13/h2-6,8H,1H3,(H,14,16)
InChI Key:
NCXXNSLQTGBKJR-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1)c1cnc(o1)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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