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Home> Hot Product Listed A   > AC1Q4V3I
1160184-91-7 structure

AC1Q4V3I

Iupac Name:3-bromo-5-(2-methoxyethoxy)benzaldehyde
CAS No.:1160184-91-7
Molecular Weight:259.099g/mol
Molecular Formula:C11H10N4O3S (isomer)
Names and Identifiers
Synonyms

4-imino-1,3-dihydro-2??,3-benzothiazine-2,2-dione 4-imino-3,4-dihydro-1h-2 4-imino-3,4-dihydro-1h-2$l^{6},3-benzothiazine-2,2-dione 4-imino-3,4-dihydro-1h-2??,3-benzothiazine-2,2-dione 4-imino-3,4-dihydro-1h-2lambda(6),3-benzothiazine-2,2-dione 4-imino-3,4-dihydro-1h-2lambda,3-benzothiazine-2,2-dione 4-imino-3,4-dihydro-1h-2lambda6,3-benzothiazine-2,2-dione AKOS026727320 CTK7D1328 EN300-60691 MCULE-6445444260 MOLPORT-016-634-986 NE50253 Z1262250815 ZINC47843807

Inchi
InChI=1S/C10H11BrO3/c1-13-2-3-14-10-5-8(7-12)4-9(11)6-10/h4-7H,2-3H2,1H3
InChkey
JLXJZTYRHDRZHK-UHFFFAOYSA-N
Canonical Smiles
COCCOC1=CC(=CC(=C1)C=O)Br
Computational chemical data
  • Molecular Weight:259.099g/molg/mol
  • Molecular Formula:C11H10N4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:257.989
  • Monoisotopic Mass:257.989
  • Complexity:175
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5A^2
  • Heavy Atom Count:14
  • 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: AAADccBwMAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBAAAABrASgmAIyBoAABACI AihSgAACCAAkIAQAiAEGCOgNJjKENRqCOSCkwBEKq5eKyBCOAAABEIAAAAAAAAIhAAAAAAAAAAAA AA==
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