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Home> Hot Product Listed A   > AC1Q2DTG
1087659-31-1 structure

AC1Q2DTG

Iupac Name:(NE)-N-[(5-methoxypyridin-3-yl)methylidene]hydroxylamine
CAS No.:1087659-31-1
Molecular Weight:152.153
Molecular Formula:C10H8FNO3 (isomer)
Names and Identifiers
Synonyms

5-(3,4-dimethylphenyl)-1,2,4-triazin-3-amine AKOS008121757 AKOS009292160 EN300-65926 MCULE-6105206738 MOLPORT-011-509-703 NE17700 T6647386 ZINC36722191

Inchi
InChI=1S/C7H8N2O2/c1-11-7-2-6(4-9-10)3-8-5-7/h2-5,10H,1H3/b9-4+
InChkey
IYJMHCDUUDDZBX-RUDMXATFSA-N
Canonical Smiles
COC1=CN=CC(=C1)C=NO
Properties
HS Code
2933399090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:152.153g/mol
  • Molecular Formula:C10H8FNO3
  • Compound Is Canonicalized:True
  • Exact Mass:152.059
  • Monoisotopic Mass:152.059
  • Complexity:138
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:54.7A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAECAAADATBmgY+hpIYFACg AjBnRASCiCAxYCAA2CAvTJgOJuLEsZuFMChkwBHY6AYwAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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