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Home > Nitro Compounds > 20885-21-6
20885-21-6 | Pyridine, 2-(methylthio)-5-nitro-
CAS No: 20885-21-6 Catalog No: AG002JX8 MDL No:MFCD01928484
Product Description
Catalog Number:
AG002JX8
Chemical Name:
Pyridine, 2-(methylthio)-5-nitro-
CAS Number:
20885-21-6
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD01928484
IUPAC Name:
2-methylsulfanyl-5-nitropyridine
InChI:
InChI=1S/C6H6N2O2S/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3
InChI Key:
SUATXLIQPPUGPW-UHFFFAOYSA-N
SMILES:
CSc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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