AG00374E

53104-95-3 | 4-Hydroxy-3-trifluoromethoxybenzaldehyde

AG00374E

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CAS Number	53104-95-3
Catalog Number	AG00374E(AGN-PC-0LW7YY)
Chemical Name	4-Hydroxy-3-trifluoromethoxybenzaldehyde
IUPAC Name	4-hydroxy-3-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H5F3O3/c9-8(10,11)14-7-3-5(4-12)1-2-6(7)13/h1-4,13H
InChI Key	GPJSLRQIOKFRFL-UHFFFAOYSA-N
MDL Number	MFCD04973780
Molecular Formula	C8H5F3O3
Molecular Weight	206.1187
SMILES	OC1=C(C=C(C=O)C=C1)OC(F)(F)F
Synonyms	4-Hydroxy-3-(trifluoromethoxy)benzaldehyde, 53104-95-3, MFCD04973780, Benzaldehyde, 4-hydroxy-3-(trifluoromethoxy)-, 4-Hydroxy-3-(Trifluoromethoxy)Benzaldehyde, 98+%, SCHEMBL856737, CTK4J7076, DTXSID60426949, GPJSLRQIOKFRFL-UHFFFAOYSA-N, ACT00936, ZINC2541351, ANW-47442, BBL103771, CL9012, STL557581, AKOS005257919, AM84216, AS05604, CM11994, CS-W015350, 4-Hydroxy-3-trifluoromethoxybenzaldehyde, AC-30069, AJ-39161, AS-46168, BR-35510, SY023030, DB-008405, ST2411455, TC-136187, FT-0647519, W6760, 4-oxidanyl-3-(trifluoromethyloxy)benzaldehyde, MFCD04973780 (97%), S-4313, A829402, 4-hydroxy-3-(trifluoromethoxy)benzaldehyde, AldrichCPR, C8H5F3O3, 4-HYDROXY-3- BENZALDEHYDE, ZINC02541351, CID7018050,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.12g/mol
Monoisotopic Mass	206.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H319-H411
Packing Group	Ⅲ
Precautionary statements	P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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