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Home > Nitro Compounds > 145865-91-4
145865-91-4 | Benzoic acid, 2-[[2-[(4-nitrophenyl)methylene]hydrazinyl]sulfonyl]-, methyl ester
CAS No: 145865-91-4 Catalog No: AG001DH6 MDL No:
Product Description
Catalog Number:
AG001DH6
Chemical Name:
Benzoic acid, 2-[[2-[(4-nitrophenyl)methylene]hydrazinyl]sulfonyl]-, methyl ester
CAS Number:
145865-91-4
Molecular Formula:
C15H13N3O6S
Molecular Weight:
363.3452
IUPAC Name:
methyl 2-[[(4-nitrophenyl)methylideneamino]sulfamoyl]benzoate
InChI:
InChI=1S/C15H13N3O6S/c1-24-15(19)13-4-2-3-5-14(13)25(22,23)17-16-10-11-6-8-12(9-7-11)18(20)21/h2-10,17H,1H3
InChI Key:
UYZMBIOVNCLBJH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1S(=O)(=O)NN=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.053g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.344g/mol
Monoisotopic Mass:
363.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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