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61813-45-4 | 2-(4-nitrophenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid
CAS No: 61813-45-4 Catalog No: AG00F50F MDL No:
Product Description
Catalog Number:
AG00F50F
Chemical Name:
2-(4-nitrophenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid
CAS Number:
61813-45-4
IUPAC Name:
2-(4-nitrophenyl)-1-octadecylbenzimidazole-5-sulfonic acid
InChI:
InChI=1S/C31H45N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-30-23-22-28(40(37,38)39)25-29(30)32-31(33)26-18-20-27(21-19-26)34(35)36/h18-23,25H,2-17,24H2,1H3,(H,37,38,39)
InChI Key:
IKTATFPKRSYODN-UHFFFAOYSA-N
Properties
Complexity:
807
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.308g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
571.777g/mol
Monoisotopic Mass:
571.308g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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