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68436-81-7 | 10-[(Benzothiazol-2-yl)azo]phenanthren-9-ol
CAS No: 68436-81-7 Catalog No: AG00FJYO MDL No:
Product Description
Catalog Number:
AG00FJYO
Chemical Name:
10-[(Benzothiazol-2-yl)azo]phenanthren-9-ol
CAS Number:
68436-81-7
IUPAC Name:
10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol
InChI:
InChI=1S/C21H13N3OS/c25-20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)23-24-21-22-17-11-5-6-12-18(17)26-21/h1-12,25H
InChI Key:
ROBRXERRLSZDJL-UHFFFAOYSA-N
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.415g/mol
Monoisotopic Mass:
355.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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