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143605-14-5 | 1-Naphthalenol, 2-(2-benzothiazolylazo)-4-(1-methylethoxy)-
CAS No: 143605-14-5 Catalog No: AG007JRF MDL No:
Product Description
Catalog Number:
AG007JRF
Chemical Name:
1-Naphthalenol, 2-(2-benzothiazolylazo)-4-(1-methylethoxy)-
CAS Number:
143605-14-5
Molecular Formula:
C20H17N3O2S
Molecular Weight:
363.4329
IUPAC Name:
2-(1,3-benzothiazol-2-yldiazenyl)-4-propan-2-yloxynaphthalen-1-ol
InChI:
InChI=1S/C20H17N3O2S/c1-12(2)25-17-11-16(19(24)14-8-4-3-7-13(14)17)22-23-20-21-15-9-5-6-10-18(15)26-20/h3-12,24H,1-2H3
InChI Key:
CRXDCZSHONOTMP-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(N=Nc2nc3c(s2)cccc3)c(c2c1cccc2)O)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.435g/mol
Monoisotopic Mass:
363.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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