AG003F5A

94651-33-9 | 2-(TRIFLUOROMETHOXY)BENZALDEHYDE

AG003F5A

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CAS Number	94651-33-9
Catalog Number	AG003F5A(AGN-PC-0WA5GE)
Chemical Name	2-(TRIFLUOROMETHOXY)BENZALDEHYDE
IUPAC Name	2-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
InChI Key	CPHXLFKIUVVIOQ-UHFFFAOYSA-N
MDL Number	MFCD00042405
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	O=CC1=CC=CC=C1OC(F)(F)F
Synonyms	2-(Trifluoromethoxy)benzaldehyde, 94651-33-9, 4-Trifluoromethoxy, 2-trifluoromethoxybenzaldehyde, o-(trifluoromethoxy)benzaldehyde, 2-trifluoromethoxy-benzaldehyde, 2-(Trifluoromethoxy)benzaldehyde, 96%, PubChem1469, 2-(TRIFLUOROMETHOXY)-BENZALDEHYDE, trifluoromethoxybenzaldehyde, ACMC-209rt0, o-trifluoromethoxybenzaldehyde, SCHEMBL96815, (trifluoromethoxy)benzaldehyde, KSC457M1D, 2-trifluoromethoxy benzaldehyde, CTK3F7611, 2-(trifluoromethoxy) benzaldehyde, DTXSID60915383, Benzaldehyde, (trifluoromethoxy)-, CPHXLFKIUVVIOQ-UHFFFAOYSA-N, ACT00676, KS-00000FF6, ZINC2168641, 2-[(trifluoromethyl)oxy]benzaldehyde, ANW-40306, BBL013604, Benzaldehyde, 2-(trifluoromethoxy)-, MFCD00042405, SBB063390, STK801541, AKOS001284212, AC-3863, AM61710, AS01492, CM12016, CS-W015915, LF10742, MCULE-2663036020, PS-8385, RTR-029567, TRA0042837, AK-36953, BR-36953, SC-76978, AB0001920, DB-019547, TR-029567, FT-0608935, ST24027676, X2740, EN300-23837, S-1474, F2191-0159, 92709-13-2, AC1MCRJ1, AC1Q4KDO, AC1Q4KGQ, C8H5F3O2, JRD-0647, ZINC02168641, 2-(TRIFLUOROMETHOXY)BENZALDEHY, ACN-056145, AN-6106, CID2777192, AJ-33894, CJ-33511, 2-(Trifluoromethoxy)benzaldehyde =95.0%, TL8005968, T2302, A11093, 2-(Trifluoromethoxy)benzaldehyde, 98% - 1G 1g, I01-1503,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024164g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.12g/mol
Monoisotopic Mass	190.024164g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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