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19919-16-5 | 1H-Benzimidazole, 2-[(2,4-dinitrophenyl)thio]-
CAS No: 19919-16-5 Catalog No: AG002BYS MDL No:
Product Description
Catalog Number:
AG002BYS
Chemical Name:
1H-Benzimidazole, 2-[(2,4-dinitrophenyl)thio]-
CAS Number:
19919-16-5
Molecular Formula:
C13H8N4O4S
Molecular Weight:
316.2920
IUPAC Name:
2-(2,4-dinitrophenyl)sulfanyl-1H-benzimidazole
InChI:
InChI=1S/C13H8N4O4S/c18-16(19)8-5-6-12(11(7-8)17(20)21)22-13-14-9-3-1-2-4-10(9)15-13/h1-7H,(H,14,15)
InChI Key:
RHFGBYHJOWMZHY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1nc2c([nH]1)cccc2)[N+](=O)[O-]
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.291g/mol
Monoisotopic Mass:
316.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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