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Home> Hot Product Listed 1   > 1H-Pyrazole, 3-methyl-1,4-dinitro-
1675203-84-5 structure

1H-Pyrazole, 3-methyl-1,4-dinitro-

Iupac Name:N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide
CAS No.:1675203-84-5
Molecular Weight:419.525
Molecular Formula:C12H14N4O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
InChkey
JEDPSOYOYVELLZ-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC=C1COC2=NC(=C(C=C2)CNCCNC(=O)C)OC)C3=CC=CC=C3
Computational chemical data
  • Molecular Weight:419.525g/mol
  • Molecular Formula:C12H14N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:419.221
  • Monoisotopic Mass:419.221
  • Complexity:526
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:72.5A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADADhmgYyhJLIFACo AiFyVACCiCAhIiAImKA+bJgMZuLE8ZueOCjm1hHI6AeQ8PoOgAACAAAQAAAAAAQAACAAAAAAAAAA AA==
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