AG007I91

153404-60-5 | Benzene, 1,1'-(1,2-ethynediyl)bis[3-bromo-

AG007I91

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CAS Number	153404-60-5
Catalog Number	AG007I91(AGN-PC-00JRBC)
Chemical Name	Benzene, 1,1'-(1,2-ethynediyl)bis[3-bromo-
IUPAC Name	1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene
InChI	InChI=1S/C14H8Br2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H
InChI Key	WSXUXTVJTIPBAF-UHFFFAOYSA-N
MDL Number	MFCD11111154
Molecular Formula	C14H8Br2
Molecular Weight	336.0213
SMILES	BrC1=CC(C#CC2=CC=CC(Br)=C2)=CC=C1
Synonyms	153404-60-5, 1,2-Bis(3-bromophenyl)ethyne, BIS(3-BROMOPHENYL)ACETYLENE, Benzene, 1,1'-(1,2-ethynediyl)bis[3-bromo-, ACMC-20n6pb, SCHEMBL1375869, CTK0E8028, BIS-(3-BROMOPHENYL)ACETYLENE, MFCD11111154, ZINC98089993, AKOS027252927, B4853,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	335.897g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	336.026g/mol
Monoisotopic Mass	333.899g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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