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145865-87-8 | Benzoic acid, 2-[[2-[(4-methoxyphenyl)methylene]hydrazinyl]sulfonyl]-, methyl ester
CAS No: 145865-87-8 Catalog No: AG001DH8 MDL No:
Product Description
Catalog Number:
AG001DH8
Chemical Name:
Benzoic acid, 2-[[2-[(4-methoxyphenyl)methylene]hydrazinyl]sulfonyl]-, methyl ester
CAS Number:
145865-87-8
Molecular Formula:
C16H16N2O5S
Molecular Weight:
348.3736
IUPAC Name:
methyl 2-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]benzoate
InChI:
InChI=1S/C16H16N2O5S/c1-22-13-9-7-12(8-10-13)11-17-18-24(20,21)15-6-4-3-5-14(15)16(19)23-2/h3-11,18H,1-2H3
InChI Key:
GAYAOMBTHRGTKK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=NNS(=O)(=O)c1ccccc1C(=O)OC
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.373g/mol
Monoisotopic Mass:
348.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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