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827044-40-6 | Pyridine, 5-iodo-2-[(2-methyl-3-nitrophenyl)thio]-
CAS No: 827044-40-6 Catalog No: AG004VUZ MDL No:
Product Description
Catalog Number:
AG004VUZ
Chemical Name:
Pyridine, 5-iodo-2-[(2-methyl-3-nitrophenyl)thio]-
CAS Number:
827044-40-6
Molecular Formula:
C12H9IN2O2S
Molecular Weight:
372.1815
IUPAC Name:
5-iodo-2-(2-methyl-3-nitrophenyl)sulfanylpyridine
InChI:
InChI=1S/C12H9IN2O2S/c1-8-10(15(16)17)3-2-4-11(8)18-12-6-5-9(13)7-14-12/h2-7H,1H3
InChI Key:
HSRVFNQUPCVQKH-UHFFFAOYSA-N
SMILES:
Ic1ccc(nc1)Sc1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.943g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.18g/mol
Monoisotopic Mass:
371.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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