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138-28-3 | Benzenesulfonic acid, 3-[2-(4-amino-3-methoxyphenyl)diazenyl]-
CAS No: 138-28-3 Catalog No: AG0017TD MDL No:
Product Description
Catalog Number:
AG0017TD
Chemical Name:
Benzenesulfonic acid, 3-[2-(4-amino-3-methoxyphenyl)diazenyl]-
CAS Number:
138-28-3
Molecular Formula:
C13H13N3O4S
Molecular Weight:
307.3250
IUPAC Name:
3-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C13H13N3O4S/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)
InChI Key:
FUWKWQCNMNPILC-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2cccc(c2)S(=O)(=O)O)ccc1N
EC Number:
205-321-1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.324g/mol
Monoisotopic Mass:
307.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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