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853950-79-5 | 1H-BenziMidazole, 2-[(S)-[(3-Methyl-4-nitro-2-pyridinyl)Methyl]sulfinyl]-
CAS No: 853950-79-5 Catalog No: AG00GLY6 MDL No:
Product Description
Catalog Number:
AG00GLY6
Chemical Name:
1H-BenziMidazole, 2-[(S)-[(3-Methyl-4-nitro-2-pyridinyl)Methyl]sulfinyl]-
CAS Number:
853950-79-5
IUPAC Name:
2-[(S)-(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)/t22-/m0/s1
InChI Key:
PSPWSLJRXBXEMQ-QFIPXVFZSA-N
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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