AG003ANE

158816-55-8 | 3,4,5-Trifluorophenylacetylene

AG003ANE

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CAS Number	158816-55-8
Catalog Number	AG003ANE(AGN-PC-03TNHM)
Chemical Name	3,4,5-Trifluorophenylacetylene
IUPAC Name	5-ethynyl-1,2,3-trifluorobenzene
InChI	InChI=1S/C8H3F3/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H
InChI Key	BZXWRVPVZZZAKB-UHFFFAOYSA-N
MDL Number	MFCD08458177
Molecular Formula	C8H3F3
Molecular Weight	156.1046
SMILES	FC=1C=C(C=C(C1F)F)C#C
Synonyms	5-ethynyl-1,2,3-trifluorobenzene, 158816-55-8, 3,4,5-Trifluorophenylacetylene, 5-Ethynyl-1,2,3-trifluoro-Benzene, zlchem 1260, SCHEMBL2782697, CTK5J0602, DTXSID40627654, ZLE0035, BZXWRVPVZZZAKB-UHFFFAOYSA-N, KS-00003RC5, ANW-69576, MFCD08458177, SBB087116, ZINC58626235, AKOS010651472, PS-8851, EN002564, 3,4,5-trifluorophenylacetylene, AldrichCPR, AJ-113163, RT-008170, CS-0059693, E1078, FT-0691041, ST24044708, V3569, BENZENE,5-ETHYNYL-1,2,3-TRIFLUORO-, J3.539.687J, K-4981, I01-7634, C8H3F3, benzene, 5-ethynyl-1,2,3-trifluoro- (9ci), A18250,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.107g/mol
Monoisotopic Mass	156.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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