AG003KZO

75460-28-5 | 4-Bromobenzo-18-crown-6

AG003KZO

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CAS Number	75460-28-5
Catalog Number	AG003KZO(AGN-PC-0U7BZ5)
Chemical Name	4-Bromobenzo-18-crown-6
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
MDL Number	MFCD00143200
Molecular Formula	C16H23BrO6
Molecular Weight	391.2542
SMILES	BrC1=CC=C2OCCOCCOCCOCCOCCOC2=C1
Synonyms	75460-28-5, 4'-Bromobenzo-18-crown 6-Ether, 4-Bromobenzo-18-crown-6, 4'-BROMOBENZO-18-CROWN-6, 18-bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine, 18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine, 2,3-(4-Bromobenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene, 20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene, MLS000573211, AC1MC0QN, CBDivE_013861, AC1Q252V, SCHEMBL7740319, CHEMBL1866988, CTK8B2875, DTXSID70370186, HMS2518L24, ZINC4134428, 4\'-BroMobenzo-18-crown 6-Ether, ANW-41231, MFCD00143200, AKOS001025674, MCULE-7586542754, VZ27321, BC005212, CC-18433, SC-54317, SMR000184462, 4-BROMOBENZO-3,4-(18-CROWN-6), FT-0617863, A838421, C-21548, SR-01000390239, SR-01000390239-1, I01-19122, Z56755924, 2,3-(4-BROMOBENZO)-1,4,7,10,13,16-HEXAOXACYCLOOCTA, 18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin, 20-bromanyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene, 21-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene, 1,4,7,10,13,16-Benzohexaoxacyclooctadecin,18-bromo-2,3,5,6,8,9,11,12,14,15-decahydro-, CID2734267, B2181,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number