200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1240568-22-2
1240568-22-2 | 1-{[1,1'-biphenyl]-4-yl}-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS No: 1240568-22-2 Catalog No: AG00JV18 MDL No:MFCD16810705
Product Description
Catalog Number:
AG00JV18
Chemical Name:
1-{[1,1'-biphenyl]-4-yl}-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS Number:
1240568-22-2
Molecular Formula:
C17H13N3O3
Molecular Weight:
307.3034
MDL Number:
MFCD16810705
IUPAC Name:
2-(4-nitropyrazol-1-yl)-1-(4-phenylphenyl)ethanone
InChI:
InChI=1S/C17H13N3O3/c21-17(12-19-11-16(10-18-19)20(22)23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2
InChI Key:
RRKQNMKYVLJFTC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1ccccc1)Cn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.309g/mol
Monoisotopic Mass:
307.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.