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75460-28-5 | 4-BROMOBENZO-18-CROWN-6
CAS No: 75460-28-5 Catalog No: AG003KZO MDL No:MFCD00143200
Product Description
Catalog Number:
AG003KZO
Chemical Name:
4-BROMOBENZO-18-CROWN-6
CAS Number:
75460-28-5
Molecular Formula:
C16H23BrO6
Molecular Weight:
391.2542
MDL Number:
MFCD00143200
IUPAC Name:
20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
InChI:
InChI=1S/C16H23BrO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12H2
InChI Key:
XHHZIFBFFGIFNI-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCCOCCOCCOCCOCCO2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.258g/mol
Monoisotopic Mass:
390.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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