AG001RK5

159981-19-8 | 3-Pyridinecarboxaldehyde, 6-(2,2,2-trifluoroethoxy)-

AG001RK5

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CAS Number	159981-19-8
Catalog Number	AG001RK5(AGN-PC-03EIA2)
Chemical Name	3-Pyridinecarboxaldehyde, 6-(2,2,2-trifluoroethoxy)-
IUPAC Name	6-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde
InChI	InChI=1S/C8H6F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)3-12-7/h1-4H,5H2
InChI Key	XKOBNYABZGUMQN-UHFFFAOYSA-N
MDL Number	MFCD06738679
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	O=CC1=CC=C(OCC(F)(F)F)N=C1
Synonyms	159981-19-8, 6-(2,2,2-Trifluoroethoxy)nicotinaldehyde, 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbaldehyde, 6-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE-3-CARBALDEHYDE, AK-33513, 3-Pyridinecarboxaldehyde,6-(2,2,2-trifluoroethoxy)-, SCHEMBL1267742, CTK4D0286, DTXSID50617086, XKOBNYABZGUMQN-UHFFFAOYSA-N, ANW-52495, MFCD06738679, ZINC40448948, AKOS015909366, AB27632, MP-0147, BBV-40257359, DS-12398, AB0069064, AJ-103121, AX8027666, DB-064319, ST2418862, TC-141240, 4CH-012809, FT-0737203, Z4236, A810094, 6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxaldehyde, I14-33101, 3-Pyridinecarboxaldehyde, 6-(2,2,2-trifluoroethoxy)-, 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carbaldehyde, 6-(2,2,2-trifluoro-ethoxy)-pyridine-3-carbaldehyde, AldrichCPR, C8H6F3NO2,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

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