200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 930061-65-7
930061-65-7 | 2-(4-methylbenzenesulfonyl)-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
CAS No: 930061-65-7 Catalog No: AG00IZY8 MDL No:MFCD00129248
Product Description
Catalog Number:
AG00IZY8
Chemical Name:
2-(4-methylbenzenesulfonyl)-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
CAS Number:
930061-65-7
Molecular Formula:
C17H12N2O6S
Molecular Weight:
372.3520
MDL Number:
MFCD00129248
IUPAC Name:
2-(4-methylphenyl)sulfonyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
InChI:
InChI=1S/C17H12N2O6S/c1-11-2-4-13(5-3-11)26(22,23)14(9-18)6-12-7-16-17(25-10-24-16)8-15(12)19(20)21/h2-8H,10H2,1H3
InChI Key:
FWZWVFYNNOYSEY-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc2OCOc2cc1[N+](=O)[O-])S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.042g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.351g/mol
Monoisotopic Mass:
372.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.