200,000+ products from a single source!
sales@angenechem.com
76670-72-9 | 7H-1,4,7-Dioxazonine, 7-[(4-methylphenyl)sulfonyl]-, (2Z,5Z,8Z)-
CAS No: 76670-72-9 Catalog No: AG005W1P MDL No:
Product Description
Catalog Number:
AG005W1P
Chemical Name:
7H-1,4,7-Dioxazonine, 7-[(4-methylphenyl)sulfonyl]-, (2Z,5Z,8Z)-
CAS Number:
76670-72-9
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
IUPAC Name:
7-(4-methylphenyl)sulfonyl-1,4,7-dioxazonine
InChI:
InChI=1S/C13H13NO4S/c1-12-2-4-13(5-3-12)19(15,16)14-6-8-17-10-11-18-9-7-14/h2-11H,1H3
InChI Key:
FNINXDYCCSXLAK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C=COC=COC=C1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.31g/mol
Monoisotopic Mass:
279.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.