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91709-03-4 | 1H-Benzimidazole, 1-[(2,4-dinitrophenyl)thio]-2-(phenylmethyl)-
CAS No: 91709-03-4 Catalog No: AG006QJX MDL No:
Product Description
Catalog Number:
AG006QJX
Chemical Name:
1H-Benzimidazole, 1-[(2,4-dinitrophenyl)thio]-2-(phenylmethyl)-
CAS Number:
91709-03-4
Molecular Formula:
C20H14N4O4S
Molecular Weight:
406.4146
IUPAC Name:
2-benzyl-1-(2,4-dinitrophenyl)sulfanylbenzimidazole
InChI:
InChI=1S/C20H14N4O4S/c25-23(26)15-10-11-19(18(13-15)24(27)28)29-22-17-9-5-4-8-16(17)21-20(22)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChI Key:
SJYCOJDFNDPUSW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sn1c(Cc2ccccc2)nc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.074g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.416g/mol
Monoisotopic Mass:
406.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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