Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed Z   > ZINC16843926
5437-67-2 structure

ZINC16843926

Iupac Name:dimethyl 2-nitropropanedioate
CAS No.:5437-67-2
Molecular Weight:177.112
Molecular Formula:C15H14N6O3S (isomer)
Names and Identifiers
Synonyms

AKOS004978076 F3382-4617 MCULE-3049725880 MOLPORT-009-703-139 n-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6-(phenylthio)-[1,2,4]triazolo[4,3-b]pyridazin-2(3h)-yl)acetamide n-(5-chloro-2-methoxyphenyl)-2-[3-oxo-6-(phenylthio)[1,2,4]triazolo[4,3-b]pyridazin-2(3h)-yl]acetamide VU0615122-1

Inchi
InChI=1S/C5H7NO6/c1-11-4(7)3(6(9)10)5(8)12-2/h3H,1-2H3
InChkey
GLKRAUOJZYHDSB-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C(C(=O)OC)[N+](=O)[O-]
Properties
Refractive Index
n20/D 1.432(lit.)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-37/39
Computational chemical data
  • Molecular Weight:177.112g/mol
  • Molecular Formula:C15H14N6O3S
  • Compound Is Canonicalized:True
  • Exact Mass:177.027
  • Monoisotopic Mass:177.027
  • Complexity:191
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:98.4A^2
  • Heavy Atom Count:12
  • 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: AAADcYBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAEAAAACCjBgAYCCAAQRAAJ AACQCwAAAAAAAAAgAAGAAAACAAQIAAABAAABIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-512-63009836
  • Fax:86-512-63006936
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+86-029-87032218
  • Fax:
  • Tel:852-852-81916999
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-512-63009836
  • Fax:86-512-63006936
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+86-029-87032218
  • Fax:
  • Tel:852-852-81916999
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<