AG0032XD

104451-70-9 | 2,3,6-Trifluorobenzaldehyde

AG0032XD

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CAS Number	104451-70-9
Catalog Number	AG0032XD(AGN-PC-0JS819)
Chemical Name	2,3,6-Trifluorobenzaldehyde
IUPAC Name	2,3,6-trifluorobenzaldehyde
InChI	InChI=1S/C7H3F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
InChI Key	XSBAHBVACIKRTG-UHFFFAOYSA-N
MDL Number	MFCD00061195
Molecular Formula	C7H3F3O
Molecular Weight	160.0933
SMILES	c1(ccc(c(c1F)C=O)F)F
Synonyms	2,3,6-Trifluorobenzaldehyde, 104451-70-9, 2,3,6-Trifluoro-benzaldehyde, Benzaldehyde, 2,3,6-trifluoro-, MFCD00061195, XSBAHBVACIKRTG-UHFFFAOYSA-N, 2,3,6-Trifluorobenzaldehyde, 97%, PubChem1467, AC1LAPHK, ACMC-1BQM6, AC1Q4LA4, 2,3,6-trifluorobenzoaldehyde, KSC494G2T, SCHEMBL415893, 2,3,6-trifluoro benzaldehyde, CTK3J4329, KS-00000YRL, TIMTEC-BB SBB003970, DTXSID30333732, PC7265G, ATTERCOP-CHM AT111497, WT507, ACT09583, JRD-0609, ZINC4290142, ZX-AP004372, ANW-15072, CT-086, FCH931685, SBB003970, AKOS005063510, AC-3859, AM61277, AN-6184, AS01489, CM12012, MCULE-2102550264, RTR-000987, TRA0034108, VZ22168, AJ-50296, AK-81416, CC-06757, CJ-11876, N565, PS-10186, SC-00187, AB0015872, AX8010211, DB-012756, TR-000987, FT-0609479, ST24038497, ST50824759, 104451-70-9 2,3,6-Trifluorobenzaldehyde, TL800742012, A21300, C-5556, 451T709, C-03953, 3S100141, 3S210992, I01-3746, J-001175, F0001-0098, C7H3F3O, Aldehyde trifluoro-2,3,6-benzoique, CID517845, ZINC04290142, ACN-046795, T2318, 2,3,6-Trifluorobenzaldehyde, 97% - 1G 1g,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.095g/mol
Monoisotopic Mass	160.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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