200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88585-26-6
88585-26-6 | 3H-Pyrazol-3-one,1-ethyl-1,2-dihydro-5-methyl-2-(4-nitrophenyl)-
CAS No: 88585-26-6 Catalog No: AG004DHU MDL No:
Product Description
Catalog Number:
AG004DHU
Chemical Name:
3H-Pyrazol-3-one,1-ethyl-1,2-dihydro-5-methyl-2-(4-nitrophenyl)-
CAS Number:
88585-26-6
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
IUPAC Name:
1-ethyl-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
InChI:
InChI=1S/C12H13N3O3/c1-3-13-9(2)8-12(16)14(13)10-4-6-11(7-5-10)15(17)18/h4-8H,3H2,1-2H3
InChI Key:
GAIPWDYZJUSNKM-UHFFFAOYSA-N
SMILES:
CCn1c(C)cc(=O)n1c1ccc(cc1)[N+](=O)[O-]
NSC Number:
158104
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.