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781655-95-6 | Benzoic acid, 2-[1-(4-quinazolinylhydrazono)ethyl]-
CAS No: 781655-95-6 Catalog No: AG005D2K MDL No:
Product Description
Catalog Number:
AG005D2K
Chemical Name:
Benzoic acid, 2-[1-(4-quinazolinylhydrazono)ethyl]-
CAS Number:
781655-95-6
Molecular Formula:
C17H14N4O2
Molecular Weight:
306.3187
IUPAC Name:
2-[C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]benzoic acid
InChI:
InChI=1S/C17H14N4O2/c1-11(12-6-2-3-7-13(12)17(22)23)20-21-16-14-8-4-5-9-15(14)18-10-19-16/h2-10H,1H3,(H,22,23)(H,18,19,21)
InChI Key:
FWJXYANJYJXABT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=NNc1ncnc2c1cccc2)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.325g/mol
Monoisotopic Mass:
306.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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