AG003J4W

766-81-4 | 3-Bromophenylacetylene

AG003J4W

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CAS Number	766-81-4
Catalog Number	AG003J4W(AGN-PC-009YN7)
Chemical Name	3-Bromophenylacetylene
IUPAC Name	1-bromo-3-ethynylbenzene
InChI	InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChI Key	TZDXNFAAJNEYIO-UHFFFAOYSA-N
MDL Number	MFCD03839983
Molecular Formula	C8H5Br
Molecular Weight	181.0293
SMILES	C#CC1=CC=CC(Br)=C1
Synonyms	3-Bromophenylacetylene, 766-81-4, 1-bromo-3-ethynylbenzene, 3'-Bromophenyl acetylene, 1-bromo-3-ethynyl-benzene, Benzene, 1-bromo-3-ethynyl-, AK-45287, Q-102448, 3'-Bromophenylacetylene, m-Bromophenylacetylene, (3-Bromophenyl)ethyne, PubChem19784, beta-bromophenylacetylene, (3-bromophenyl)acetylene, 1-ethynyl-3-bromobenzene, 3-bromo-1-ethynylbenzene, SCHEMBL1786004, CTK5J0615, DTXSID10467201, TZDXNFAAJNEYIO-UHFFFAOYSA-N, ACT03017, KS-00000M5B, ZINC2513043, ZX-AT006600, ANW-36863, MFCD03839983, 3'-bromophenyl acetylene, AldrichCPR, AKOS005146038, CB-1883, CS-W018828, FCH2593022, OR42232, RL04922, VZ25304, AJ-36774, AN-47506, BBV-38357735, BC004472, BR-45287, CC-14531, DS-13509, SY047048, AB0026634, AX8005678, ST2405000, TC-061279, A9718, FT-0632913, W8343, MFCD03839983 (98%), S-3089, 766B814, C-06789, I01-6024, C8H5Br, CID11480818,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.957g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.032g/mol
Monoisotopic Mass	179.957g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number