200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1799982-19-6
1799982-19-6 | 8-nitro-3,4-dihydro-2H-1,5-benzoxathiepin-3-one
CAS No: 1799982-19-6 Catalog No: AG01B94C MDL No:MFCD28348252
Product Description
Catalog Number:
AG01B94C
Chemical Name:
8-nitro-3,4-dihydro-2H-1,5-benzoxathiepin-3-one
CAS Number:
1799982-19-6
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
MDL Number:
MFCD28348252
IUPAC Name:
8-nitro-1,5-benzoxathiepin-3-one
InChI:
InChI=1S/C9H7NO4S/c11-7-4-14-8-3-6(10(12)13)1-2-9(8)15-5-7/h1-3H,4-5H2
InChI Key:
IAPVGYGZEQYUBR-UHFFFAOYSA-N
SMILES:
O=C1COc2c(SC1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.218g/mol
Monoisotopic Mass:
225.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.