AG00059D

1017083-37-2 | Benzaldehyde, 4-hydroxy-2-(trifluoromethoxy)-

AG00059D

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CAS Number	1017083-37-2
Catalog Number	AG00059D(AGN-PC-0WAMLQ)
Chemical Name	Benzaldehyde, 4-hydroxy-2-(trifluoromethoxy)-
IUPAC Name	4-hydroxy-2-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H5F3O3/c9-8(10,11)14-7-3-6(13)2-1-5(7)4-12/h1-4,13H
InChI Key	HPHHSFUXCMITFI-UHFFFAOYSA-N
MDL Number	MFCD06797920
Molecular Formula	C8H5F3O3
Molecular Weight	206.1187
SMILES	O=CC1=CC=C(O)C=C1OC(F)(F)F
Synonyms	4-Hydroxy-2-(trifluoromethoxy)benzaldehyde, 1017083-37-2, 4-HYDROXY-2-TRIFLUOROMETHOXYBENZALDEHYDE, AK-94401, SCHEMBL15534680, CTK7H9604, DTXSID00641053, HPHHSFUXCMITFI-UHFFFAOYSA-N, ANW-52854, CL8358, MFCD06797920, ZINC14989267, AKOS015995316, AS02850, CS-W005776, FCH1382420, PC32751, AJ-66683, DS-17974, SY104871, AB0034015, AX8038092, ST2418392, TC-141599, 4CH-013816, FT-0767880, X8097, MFCD06797920 (95%), Benzaldehyde, 4-hydroxy-2-(trifluoromethoxy)-, X-3675, C8H5F3O3,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number