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89408-28-6 | Benzoic acid, 4-[(2-thiazolylhydrazono)methyl]-
CAS No: 89408-28-6 Catalog No: AG004ND5 MDL No:
Product Description
Catalog Number:
AG004ND5
Chemical Name:
Benzoic acid, 4-[(2-thiazolylhydrazono)methyl]-
CAS Number:
89408-28-6
Molecular Formula:
C11H9N3O2S
Molecular Weight:
247.2731
IUPAC Name:
4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid
InChI:
InChI=1S/C11H9N3O2S/c15-10(16)9-3-1-8(2-4-9)7-13-14-11-12-5-6-17-11/h1-7H,(H,12,14)(H,15,16)
InChI Key:
FFFLNCMFTRMURV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C=NNc1nccs1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.272g/mol
Monoisotopic Mass:
247.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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