200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1240527-92-7
1240527-92-7 | 2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate
CAS No: 1240527-92-7 Catalog No: AG01A9OV MDL No:MFCD16622173
Product Description
Catalog Number:
AG01A9OV
Chemical Name:
2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate
CAS Number:
1240527-92-7
Molecular Formula:
C12H10N2O5S
Molecular Weight:
294.2832
MDL Number:
MFCD16622173
IUPAC Name:
(2-nitropyridin-3-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H10N2O5S/c1-9-4-6-10(7-5-9)20(17,18)19-11-3-2-8-13-12(11)14(15)16/h2-8H,1H3
InChI Key:
BZFLDPUEENDUPJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1cccnc1[N+](=O)[O-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.281g/mol
Monoisotopic Mass:
294.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.