200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 951624-89-8
951624-89-8 | 1-(2-Methylsulfonyl-4-nitrophenyl)homopiperazine
CAS No: 951624-89-8 Catalog No: AG01EZLF MDL No:
Product Description
Catalog Number:
AG01EZLF
Chemical Name:
1-(2-Methylsulfonyl-4-nitrophenyl)homopiperazine
CAS Number:
951624-89-8
Molecular Formula:
C12H17N3O4S
Molecular Weight:
299.3461
IUPAC Name:
1-(2-methylsulfonyl-4-nitrophenyl)-1,4-diazepane
InChI:
InChI=1S/C12H17N3O4S/c1-20(18,19)12-9-10(15(16)17)3-4-11(12)14-7-2-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3
InChI Key:
RIQWXZCLRXSYCR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)N1CCNCCC1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.345g/mol
Monoisotopic Mass:
299.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.