AG003KZN

60835-72-5 | 4-BROMOBENZO-15-CROWN 5-ETHER

AG003KZN

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CAS Number	60835-72-5
Catalog Number	AG003KZN(AGN-PC-0SXWHJ)
Chemical Name	4-BROMOBENZO-15-CROWN 5-ETHER
IUPAC Name	17-bromo-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
InChI	InChI=1S/C14H19BrO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10H2
InChI Key	GPKJNSIFVWMEEI-UHFFFAOYSA-N
MDL Number	MFCD00143270
Molecular Formula	C14H19BrO5
Molecular Weight	347.2017
SMILES	BrC1=CC=C2OCCOCCOCCOCCOC2=C1
Synonyms	60835-72-5, m-Bromobenzo-15-crown-5, BRN 1587587, 4'-Bromobenzo-15-crown 5-Ether, 1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-15-bromo-, 15-bromo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine, 2,3,5,6,8,9,11,12-Octahydro-15-bromo-1,4,7,10,13-benzopentaoxacyclopentadecin, 4'-Bromobenzo-15-crown-5, AC1MC5OZ, DTXSID50209687, ZINC3899166, CCG-53509, MFCD00143270, STL089786, AKOS001083442, MCULE-4534998548, LS-38792, ST50331229, SR-01000395834, 1,2-[Oxybis(ethyleneoxyethyleneoxy)]-4-bromobenzene, 4 inverted exclamation marka-Bromobenzo-15-crown-5, SR-01000395834-1, SR-01000395834-2, I01-19121, Z57035386, (Benzo-15-crown-5)-4 inverted exclamation marka-yl bromide, 2,3-(4-Bromobenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene, 15-bromo-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecahydrobenzo[a][15]annulene, 15-Bromo-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine, 17-bromo-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene, C14H19BrO5, C14-H19-Br-O5, CID2724799, B2189, 4-Bromobenzo-15-crown-5, 90% - 1G 1g,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.042g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	347.205g/mol
Monoisotopic Mass	346.042g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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