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1187926-85-7 | 2-(((3-METHYL-4-NITROPYRIDIN-2-YL)METHYL)SULFONYL)-1H-BENZO[D]IMIDAZOLE
CAS No: 1187926-85-7 Catalog No: AG00HEQI MDL No:
Product Description
Catalog Number:
AG00HEQI
Chemical Name:
2-(((3-METHYL-4-NITROPYRIDIN-2-YL)METHYL)SULFONYL)-1H-BENZO[D]IMIDAZOLE
CAS Number:
1187926-85-7
IUPAC Name:
2-[(3-methyl-4-nitropyridin-2-yl)methylsulfonyl]-1H-benzimidazole
InChI:
InChI=1S/C14H12N4O4S/c1-9-12(15-7-6-13(9)18(19)20)8-23(21,22)14-16-10-4-2-3-5-11(10)17-14/h2-7H,8H2,1H3,(H,16,17)
InChI Key:
PDKDKUSPKCWWKS-UHFFFAOYSA-N
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.058g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.334g/mol
Monoisotopic Mass:
332.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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