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26447-78-9 | Benzonitrile, 4-[(oxidophenylimino)methyl]-
CAS No: 26447-78-9 Catalog No: AG002T8I MDL No:
Product Description
Catalog Number:
AG002T8I
Chemical Name:
Benzonitrile, 4-[(oxidophenylimino)methyl]-
CAS Number:
26447-78-9
Molecular Formula:
C14H9N2O-
Molecular Weight:
221.2341
IUPAC Name:
1-(4-cyanophenyl)-N-phenylmethanimine oxide
InChI:
InChI=1S/C14H10N2O/c15-10-12-6-8-13(9-7-12)11-16(17)14-4-2-1-3-5-14/h1-9,11H
InChI Key:
IQONMXYVTQORGK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=Nc1ccccc1[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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