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827596-02-1 | Benzamide, 4-[(4-pyridinylmethylene)amino]-
CAS No: 827596-02-1 Catalog No: AG005767 MDL No:
Product Description
Catalog Number:
AG005767
Chemical Name:
Benzamide, 4-[(4-pyridinylmethylene)amino]-
CAS Number:
827596-02-1
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
4-(pyridin-4-ylmethylideneamino)benzamide
InChI:
InChI=1S/C13H11N3O/c14-13(17)11-1-3-12(4-2-11)16-9-10-5-7-15-8-6-10/h1-9H,(H2,14,17)
InChI Key:
OPGXTFCDDUBVNJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)N=Cc1ccncc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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