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116143-45-4 | Benzoic acid, 4-[2-[2-furanyl(2-phenylhydrazinylidene)methyl]diazenyl]-
CAS No: 116143-45-4 Catalog No: AG000BR0 MDL No:
Product Description
Catalog Number:
AG000BR0
Chemical Name:
Benzoic acid, 4-[2-[2-furanyl(2-phenylhydrazinylidene)methyl]diazenyl]-
CAS Number:
116143-45-4
Molecular Formula:
C18H14N4O3
Molecular Weight:
334.3288
IUPAC Name:
4-[[N-anilino-C-(furan-2-yl)carbonimidoyl]diazenyl]benzoic acid
InChI:
InChI=1S/C18H14N4O3/c23-18(24)13-8-10-15(11-9-13)20-22-17(16-7-4-12-25-16)21-19-14-5-2-1-3-6-14/h1-12,19H,(H,23,24)
InChI Key:
WKGSPTWOJRXUFW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N=NC(=NNc1ccccc1)c1ccco1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.335g/mol
Monoisotopic Mass:
334.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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