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Home> Encyclopedia > Hot Product Listed 5   > 5-Hexenoic acid,6-[(1R,2R,3R,4S)-3-[[[(4-bromophenyl)sulfonyl]amino]methyl]bicyclo[2.2.1]hept-2-yl]-...
1185072-03-0 structure

5-Hexenoic acid,6-[(1R,2R,3R,4S)-3-[[[(4-bromophenyl)sulfonyl]amino]methyl]bicyclo[2.2.1]hept-2-yl]-,(5Z)-

Iupac Name:4,5,6,7-tetradeuterio-2H-benzotriazole
CAS No.:1185072-03-0
EINECS(EC#): 219-690-1
Molecular Weight:123.151
Molecular Formula:C15H26O (isomer)
Names and Identifiers
Synonyms

(5Z)-6-[(1R,2R,3R,4S)-3-[[(4-Bromophenylsulfonyl)(bromo)amino]methyl]bicyclo[2.2.1]heptan-2-yl]-5-hexenoic acid 5-Hexenoicacid, 6-[3-[[[(4-bromophenyl)sulfonyl]amino]methyl]bicyclo[2.2.1]hept-2-yl]-,[1R-[1a,2a(Z),3a,4a]]- ONO-NT 126

Inchi
InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)/i1D,2D,3D,4D
InChkey
QRUDEWIWKLJBPS-RHQRLBAQSA-N
Canonical Smiles
C1=CC2=NNN=C2C=C1
Properties
Density
1.022
Boiling Point
448.1°Cat760mmHg
Flash Point
°C
Safety and Handling
Risk Statements
11-36-66-67
Safety Statements
9-16-26
Transport
UN1090 - class 3 - PG 2 - Acetone, solution
Computational chemical data
  • Molecular Weight:123.151g/mol
  • Molecular Formula:C15H26O
  • Compound Is Canonicalized:True
  • Exact Mass:123.073
  • Monoisotopic Mass:123.073
  • Complexity:92.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:4
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAYAAAACAiBFgAwwLACAACi ASRiQACCBAQgEgAYuCAwdJgIYKKAkZGAIABggAAIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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