200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 110299-88-2
110299-88-2 | 1H-Imidazole, 4-nitro-5-(phenylsulfonyl)-
CAS No: 110299-88-2 Catalog No: AG0083ZT MDL No:
Product Description
Catalog Number:
AG0083ZT
Chemical Name:
1H-Imidazole, 4-nitro-5-(phenylsulfonyl)-
CAS Number:
110299-88-2
Molecular Formula:
C9H7N3O4S
Molecular Weight:
253.2346
IUPAC Name:
4-(benzenesulfonyl)-5-nitro-1H-imidazole
InChI:
InChI=1S/C9H7N3O4S/c13-12(14)8-9(11-6-10-8)17(15,16)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChI Key:
WBMLQMWHVKQGQK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc[nH]c1S(=O)(=O)c1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.232g/mol
Monoisotopic Mass:
253.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.