200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1574-87-4
1574-87-4 | 2-Pentanone, 4-(4-methoxyphenyl)-5-nitro-
CAS No: 1574-87-4 Catalog No: AG001PFX MDL No:
Product Description
Catalog Number:
AG001PFX
Chemical Name:
2-Pentanone, 4-(4-methoxyphenyl)-5-nitro-
CAS Number:
1574-87-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
4-(4-methoxyphenyl)-5-nitropentan-2-one
InChI:
InChI=1S/C12H15NO4/c1-9(14)7-11(8-13(15)16)10-3-5-12(17-2)6-4-10/h3-6,11H,7-8H2,1-2H3
InChI Key:
WCEZHNWCTGFEQD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(CC(=O)C)C[N+](=O)[O-]
NSC Number:
153689
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.