200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1020251-86-8
1020251-86-8 | 3-tert-butyl-1-(4-nitrophenyl)-1H,4H-indeno[1,2-c]pyrazol-4-one
CAS No: 1020251-86-8 Catalog No: AG00IX78 MDL No:MFCD00170363
Product Description
Catalog Number:
AG00IX78
Chemical Name:
3-tert-butyl-1-(4-nitrophenyl)-1H,4H-indeno[1,2-c]pyrazol-4-one
CAS Number:
1020251-86-8
Molecular Formula:
C20H17N3O3
Molecular Weight:
347.3673
MDL Number:
MFCD00170363
IUPAC Name:
3-tert-butyl-1-(4-nitrophenyl)indeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C20H17N3O3/c1-20(2,3)19-16-17(14-6-4-5-7-15(14)18(16)24)22(21-19)12-8-10-13(11-9-12)23(25)26/h4-11H,1-3H3
InChI Key:
LTTCPQLJVCBFLQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(c2c1c1ccccc1C2=O)C(C)(C)C
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.374g/mol
Monoisotopic Mass:
347.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.