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88247-55-6 | Benzoic acid, 4-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-
CAS No: 88247-55-6 Catalog No: AG004AMU MDL No:
Product Description
Catalog Number:
AG004AMU
Chemical Name:
Benzoic acid, 4-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-
CAS Number:
88247-55-6
Molecular Formula:
C18H14N4O4S
Molecular Weight:
382.3932
IUPAC Name:
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
InChI:
InChI=1S/C18H14N4O4S/c23-18(24)13-4-6-14(7-5-13)20-21-15-8-10-16(11-9-15)27(25,26)22-17-3-1-2-12-19-17/h1-12H,(H,19,22)(H,23,24)
InChI Key:
IHSOAMVEAGUOTN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.074g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.394g/mol
Monoisotopic Mass:
382.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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