200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 156963-85-8
156963-85-8 | Bicyclo[3.2.1]octane-2,4-dione, 3-[2-nitro-4-(propylthio)benzoyl]-
CAS No: 156963-85-8 Catalog No: AG001P3T MDL No:
Product Description
Catalog Number:
AG001P3T
Chemical Name:
Bicyclo[3.2.1]octane-2,4-dione, 3-[2-nitro-4-(propylthio)benzoyl]-
CAS Number:
156963-85-8
Molecular Formula:
C18H19NO5S
Molecular Weight:
361.4122
IUPAC Name:
3-(2-nitro-4-propylsulfanylbenzoyl)bicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C18H19NO5S/c1-2-7-25-12-5-6-13(14(9-12)19(23)24)18(22)15-16(20)10-3-4-11(8-10)17(15)21/h5-6,9-11,15H,2-4,7-8H2,1H3
InChI Key:
CZXWHVIIIGJPMX-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(c(c1)[N+](=O)[O-])C(=O)C1C(=O)C2CCC(C1=O)C2
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.412g/mol
Monoisotopic Mass:
361.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.