AG003BAC

52771-21-8 | 3-(Trifluoromethoxy)benzaldehyde

AG003BAC

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CAS Number	52771-21-8
Catalog Number	AG003BAC(AGN-PC-0JTNTG)
Chemical Name	3-(Trifluoromethoxy)benzaldehyde
IUPAC Name	3-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H
InChI Key	FQEVHRCPXFKJHF-UHFFFAOYSA-N
MDL Number	MFCD00042406
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	C1=C(C=CC=C1OC(F)(F)F)C=O
Synonyms	3-(Trifluoromethoxy)benzaldehyde, 52771-21-8, 3-trifluoromethoxybenzaldehyde, 50823-91-1, m-(trifluoromethoxy)benzaldehyde, MFCD00042406, m-trifluoromethoxybenzaldehyde, FQEVHRCPXFKJHF-UHFFFAOYSA-N, 3-(Trifluoromethoxy)benzaldehyde, 95%, PubChem1470, AC1LCQXS, AC1Q4KDY, AC1Q4KGN, ACMC-209l1m, 3trifluoromethoxybenzaldehyde, SCHEMBL68710, 3-trifluormethoxy-benzaldehyde, KSC274M0J, 3-trifluoromethoxy-benzaldehyde, CTK1H4604, TIMTEC-BB SBB006601, DTXSID60345520, 3-(trifluoromethyloxy)benzaldehyde, OTAVA-BB 1358887, 3-TERT-BUTOXY-BENZALDEHYDE, ACT00893, ALBB-005993, JRD-0288, KS-00000FF7, ZINC2584326, ANW-31544, Benzaldehyde, 3-(trifluoromethoxy)-, SBB006601, STK503656, WT1690, AKOS005171623, AC-3864, AS01493, AS03083, CM12017, CS-W019515, LF10743, PS-8384, RTC-062307, AJ-43404, AK-53604, AN-12561, BR-53604, CJ-10351, SC-08020, SC-88635, AB0012260, DB-024108, DB-071261, TC-062307, TL8003369, 52771-21-8 3-trifluoromethoxybenzaldehyde, AM20060804, FT-0613899, FT-0659634, ST24028363, EN300-68232, C-4979, A829247, I01-1542, I01-1546, F0001-1361, 3- BENZALDEHYDE, o-Fluorophenylacetic acid, 2-Fluorophenylacetic acid, Trifluoromethoxybenzaldehyde2, 2-(2-fluorophenyl)acetamide, 3-Trifluoromethoxy benzaldehyde, 2-(2-fluorophenyl)acetic acid, C8H5F3O2, RARECHEM AL BO 0110, Benzaldehyde,3-(trifluoromethoxy)-, CID605139, LABOTEST-BB LT00455080, ZINC02584326, ACN-046852, OTAVA-BB 7020330565, T1824, 3-(Trifluoromethoxy)benzaldehyde, 96% - 1G 1g,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number