200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 18922-31-1
18922-31-1 | 2-Propen-1-one, 3-(5-nitro-2-thienyl)-1-phenyl-
CAS No: 18922-31-1 Catalog No: AG002I37 MDL No:
Product Description
Catalog Number:
AG002I37
Chemical Name:
2-Propen-1-one, 3-(5-nitro-2-thienyl)-1-phenyl-
CAS Number:
18922-31-1
Molecular Formula:
C13H9NO3S
Molecular Weight:
259.2805
IUPAC Name:
3-(5-nitrothiophen-2-yl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C13H9NO3S/c15-12(10-4-2-1-3-5-10)8-6-11-7-9-13(18-11)14(16)17/h1-9H
InChI Key:
UBTSOLASWLSVAJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=Cc1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.279g/mol
Monoisotopic Mass:
259.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.