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barium cobalt(3+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate hydrate (1:2:2:4) structure
barium cobalt(3+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate hydrate (1:2:2:4) structure

barium cobalt(3+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate hydrate (1:2:2:4)

Iupac Name:2-bromo-4-chloro-N-methoxy-N-methylbenzamide
CAS No.:1255099-63-8
Molecular Weight:278.53
1. Names and Identifiers
1.1 Name
barium cobalt(3+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate hydrate (1:2:2:4)
1.2 Synonyms

AC1L4GJA barium, ((ethylenedinitrilo)tetraacetato)cobaltate(iii), tetrahydrate DTXSID40198051 OR273856

1.3 CAS No.
1255099-63-8
1.4 CID
53402033
1.5 EINECS(EC#)
276-425-2
1.6 Molecular Formula
C23H29N5O5 (isomer)
1.7 Inchi
InChI=1S/C9H9BrClNO2/c1-12(14-2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
1.8 InChkey
ZZVVBYKBHDBUFV-UHFFFAOYSA-N
1.9 Canonical Smiles
CN(C(=O)C1=C(C=C(C=C1)Cl)Br)OC
1.10 Isomers Smiles
CN(C(=O)C1=C(C=C(C=C1)Cl)Br)OC
2. Properties
3.1 Density
1.22
3. Computational chemical data
  • Molecular Weight:278.53g/mol
  • Molecular Formula:C23H29N5O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.7
  • Exact Mass:276.95052
  • Monoisotopic Mass:276.95052
  • Complexity:215
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5
  • 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
4. Recommended Suppliers
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  • Products:Career Henan Chemical Co, facing global High-tech pharmaceutical raw materials, high complex new type intermediates, fine chemicals custom synthesis, scale-up production and Rare chemicals trade.
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2-bromo-4-chloro-N-methoxy-N-methylbenzamide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/05/21
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  • Tel:+86-760-85330351
2-bromo-4-chloro-N-methoxy-N-methylbenzamide
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire