AG003FLS

98349-22-5 | 2,4,5-Trifluorobenzonitrile

AG003FLS

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CAS Number	98349-22-5
Catalog Number	AG003FLS(AGN-PC-0JTGQX)
Chemical Name	2,4,5-Trifluorobenzonitrile
IUPAC Name	2,4,5-trifluorobenzonitrile
InChI	InChI=1S/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChI Key	DLKNOGQOOZFICZ-UHFFFAOYSA-N
MDL Number	MFCD00013289
Molecular Formula	C7H2F3N
Molecular Weight	157.0927
SMILES	N#CC1=CC(F)=C(F)C=C1F
Synonyms	2,4,5-trifluorobenzonitrile, 2,4,5-Trifluorobenzonitrile, 98349-22-5, Benzonitrile, 2,4,5-trifluoro-, 2,4,5-trifluoro-benzonitrile, MFCD00013289, DLKNOGQOOZFICZ-UHFFFAOYSA-N, 2,4,5-trifluorobenzenecarbonitrile, 3-flurophenol, PubChem1571, ACMC-209sa5, AC1LC3Q0, 2,4,5-trifluorophenylnitrile, KSC488C2T, SCHEMBL366972, 2,4,5-Trifluoro Benzonitrile, CTK3I8129, DLKNOGQOOZFICZ-UHFFFAOYSA-, 2,4,5-trifluorobenzonitrile99%, DTXSID50344002, ZINC389514, 2,4,5-trifluorobenzonitrile 99%, ACT12423, JRD-0620, KS-00000EJ7, 2,4,5-Trifluorobenzonitrile, 99%, ANW-40923, CT-613, SBB055459, WT1781, 2,4,5-trifluorobenzonitrile, 98+%, AKOS006221863, AC-4106, AM61707, AN-6089, AS01710, CM13151, CS-W023161, MCULE-3464764856, RL06111, RTR-030309, TRA0047755, VZ22360, AJ-20808, BR-53981, CJ-03360, L045, PS-10158, SC-07497, SY021880, ZB011735, AB0014499, DB-019812, ST2403632, TL8006041, TR-030309, 4CH-018045, 98349-22-5 2,4,5-trifluorobenzonitrile, FT-0609806, ST50306865, MFCD00013289 (98%), 2 pound not4 pound not5-trifluorobenzoinitrile, C-4867, J-507058, InChI=1/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H, C7H2F3N, CID593813, ZINC00389514, T2326, 2,4,5-Trifluorobenzonitrile, 99% - 5G 5g, A11264,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	157.095g/mol
Monoisotopic Mass	157.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number