200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 860785-33-7
860785-33-7 | 3-methyl-1-[(4-nitrophenyl)methyl]-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS No: 860785-33-7 Catalog No: AG00IWO2 MDL No:MFCD03787679
Product Description
Catalog Number:
AG00IWO2
Chemical Name:
3-methyl-1-[(4-nitrophenyl)methyl]-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
860785-33-7
Molecular Formula:
C19H20N4O3
Molecular Weight:
352.3871
MDL Number:
MFCD03787679
IUPAC Name:
5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one
InChI:
InChI=1S/C19H20N4O3/c1-13(2)16-6-10-17(11-7-16)22-14(3)20-21(19(22)24)12-15-4-8-18(9-5-15)23(25)26/h4-11,13H,12H2,1-3H3
InChI Key:
GFMZIZBYQDHHIJ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)n1c(C)nn(c1=O)Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.154g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.394g/mol
Monoisotopic Mass:
352.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.