AG01AV3Q

99254-90-7 | 1,3-Dichloro-5-ethynylbenzene

AG01AV3Q

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CAS Number	99254-90-7
Catalog Number	AG01AV3Q(AGN-PC-00O4NR)
Chemical Name	1,3-Dichloro-5-ethynylbenzene
IUPAC Name	1,3-dichloro-5-ethynylbenzene
InChI	InChI=1S/C8H4Cl2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChI Key	QVJKOUQZOSCKNE-UHFFFAOYSA-N
MDL Number	MFCD11655753
Molecular Formula	C8H4Cl2
Molecular Weight	171.0234
SMILES	C#CC1=CC(Cl)=CC(Cl)=C1
Synonyms	1,3-dichloro-5-ethynylbenzene, 99254-90-7, 3,5-Dichlorophenylacetylene, 1,3-dichloro-5-ethynyl-benzene, Benzene, 1,3-dichloro-5-ethynyl-, ACMC-20m2q5, SCHEMBL718951, 1,3-dichloro-5-ethynyl benzene, CTK3F1218, DTXSID10550521, QVJKOUQZOSCKNE-UHFFFAOYSA-N, MFCD11655753, ZINC62605406, AKOS005216193, CS-0046892,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.969g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.02g/mol
Monoisotopic Mass	169.969g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number