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78505-17-6 | Phenol, 2-methoxy-5-naphtho[1,2-d]thiazol-2-yl-
CAS No: 78505-17-6 Catalog No: AG005A16 MDL No:
Product Description
Catalog Number:
AG005A16
Chemical Name:
Phenol, 2-methoxy-5-naphtho[1,2-d]thiazol-2-yl-
CAS Number:
78505-17-6
Molecular Formula:
C18H13NO2S
Molecular Weight:
307.3663
IUPAC Name:
5-benzo[e][1,3]benzothiazol-2-yl-2-methoxyphenol
InChI:
InChI=1S/C18H13NO2S/c1-21-15-8-6-12(10-14(15)20)18-19-17-13-5-3-2-4-11(13)7-9-16(17)22-18/h2-10,20H,1H3
InChI Key:
BYDSVERPOAYKMK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1O)c1sc2c(n1)c1ccccc1cc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.367g/mol
Monoisotopic Mass:
307.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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