AG0033PO

2561-17-3 | 3-Fluorophenylacetylene

AG0033PO

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CAS Number	2561-17-3
Catalog Number	AG0033PO(AGN-PC-0JS9CI)
Chemical Name	3-Fluorophenylacetylene
IUPAC Name	1-ethynyl-3-fluorobenzene
InChI	InChI=1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChI Key	PTRUTZFCVFUTMW-UHFFFAOYSA-N
MDL Number	MFCD03093798
Molecular Formula	C8H5F
Molecular Weight	120.1237
SMILES	Fc1cccc(C#C)c1
Synonyms	3-Fluorophenylacetylene, 2561-17-3, 1-Ethynyl-3-fluorobenzene, 3'-fluorophenyl acetylene, 1-ethynyl-3-fluoro-benzene, 3-fluorophenyl acetylene, Benzene, 1-ethynyl-3-fluoro-, 3'-Fluorophenylacetylene, 3-FC6H4CCH, AC1LATXZ, ethynyl-3-fluorobenzene, PubChem12891, 3-fluorophenyl-acetylene, ACMC-1CPCM, (3-fluorophenyl)-ethyne, 1-ethynyl-3fluorobenzene, 3-ethynyl-1-fluorobenzene, 3-fluorophenylacetylene98%, SCHEMBL6913, 3-fluorophenylacetylene 98%, benzene, 1-ethynyl-3-fluoro- (7ci, 8ci, 9ci), KSC556C1L, Benzene,1-ethynyl-3-fluoro-, Jsp005069, CTK4F6115, KS-00000EXG, DTXSID30334284, PTRUTZFCVFUTMW-UHFFFAOYSA-N, 1-Ethynyl-3-fluorobenzene, 98%, ACN-S004374, ACN-S004625, ACT00832, EBD33018, ZINC2506732, AC-420, ANW-51421, BBL102715, MFCD03093798, SBB064527, STL556521, AKOS009158105, CS-W013579, PS-9229, RP19367, TRA0032065, AJ-36144, AK-25670, AN-15836, BC215302, BR-25670, CJ-08495, SC-66143, AB0023758, DB-028505, ST2410706, TR-011667, 4CH-014500, A5151, AM20060575, E1332, FT-0634363, W4890, M-7867, 561F173, I01-5051, Q-103124, C8H5F, CID520218,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.038g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.126g/mol
Monoisotopic Mass	120.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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