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63467-02-7 | 2,2'-[[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]imino]bisethanol
CAS No: 63467-02-7 Catalog No: AG00F5Z0 MDL No:
Product Description
Catalog Number:
AG00F5Z0
Chemical Name:
2,2'-[[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]imino]bisethanol
CAS Number:
63467-02-7
IUPAC Name:
2-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanol
InChI:
InChI=1S/C18H20N4O4S2/c1-28(25,26)15-6-7-16-17(12-15)27-18(19-16)21-20-13-2-4-14(5-3-13)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3
InChI Key:
ZVPFNHQYOQGSQI-UHFFFAOYSA-N
EC Number:
264-216-9
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.093g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
420.502g/mol
Monoisotopic Mass:
420.093g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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