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142384-07-4 | 1H-Benzimidazole, 2-[[(3-methyl-4-nitro-2-pyridinyl)methyl]sulfinyl]-
CAS No: 142384-07-4 Catalog No: AG007YRL MDL No:
Product Description
Catalog Number:
AG007YRL
Chemical Name:
1H-Benzimidazole, 2-[[(3-methyl-4-nitro-2-pyridinyl)methyl]sulfinyl]-
CAS Number:
142384-07-4
Molecular Formula:
C14H12N4O3S
Molecular Weight:
316.3351
IUPAC Name:
2-[(3-methyl-4-nitropyridin-2-yl)methylsulfinyl]-1H-benzimidazole
InChI:
InChI=1S/C14H12N4O3S/c1-9-12(15-7-6-13(9)18(19)20)8-22(21)14-16-10-4-2-3-5-11(10)17-14/h2-7H,8H2,1H3,(H,16,17)
InChI Key:
PSPWSLJRXBXEMQ-UHFFFAOYSA-N
SMILES:
O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)[N+](=O)[O-]
EC Number:
604-288-4
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.335g/mol
Monoisotopic Mass:
316.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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