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89785-60-4 | Naphtho[2,1-d]thiazol-6-ol, 2-(3-aminophenyl)-7-[(4-nitrophenyl)azo]-
CAS No: 89785-60-4 Catalog No: AG003YHI MDL No:
Product Description
Catalog Number:
AG003YHI
Chemical Name:
Naphtho[2,1-d]thiazol-6-ol, 2-(3-aminophenyl)-7-[(4-nitrophenyl)azo]-
CAS Number:
89785-60-4
Molecular Formula:
C23H15N5O3S
Molecular Weight:
441.4619
IUPAC Name:
2-(3-aminophenyl)-7-[(4-nitrophenyl)diazenyl]benzo[g][1,3]benzothiazol-6-ol
InChI:
InChI=1S/C23H15N5O3S/c24-14-3-1-2-13(12-14)23-25-20-11-8-17-18(22(20)32-23)9-10-19(21(17)29)27-26-15-4-6-16(7-5-15)28(30)31/h1-12,29H,24H2
InChI Key:
GMXWNOYFRADJML-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nc2c(s1)c1ccc(c(c1cc2)O)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.09g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.465g/mol
Monoisotopic Mass:
441.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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