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144169-89-1 | Benzenesulfonic acid, 4-[2-(5-amino-4-acenaphthylenyl)diazenyl]-
CAS No: 144169-89-1 Catalog No: AG001J25 MDL No:
Product Description
Catalog Number:
AG001J25
Chemical Name:
Benzenesulfonic acid, 4-[2-(5-amino-4-acenaphthylenyl)diazenyl]-
CAS Number:
144169-89-1
Molecular Formula:
C18H13N3O3S
Molecular Weight:
351.3791
IUPAC Name:
4-[(5-aminoacenaphthylen-4-yl)diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C18H13N3O3S/c19-18-15-3-1-2-11-4-5-12(17(11)15)10-16(18)21-20-13-6-8-14(9-7-13)25(22,23)24/h1-10H,19H2,(H,22,23,24)
InChI Key:
NVTSSYRBFFYTCF-UHFFFAOYSA-N
SMILES:
Nc1c(N=Nc2ccc(cc2)S(=O)(=O)O)cc2c3c1cccc3C=C2
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.068g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.38g/mol
Monoisotopic Mass:
351.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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