AG002KIS

210039-65-9 | Benzaldehyde, 2-hydroxy-5-(trifluoromethyl)-

AG002KIS

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CAS Number	210039-65-9
Catalog Number	AG002KIS(AGN-PC-00PGMC)
Chemical Name	Benzaldehyde, 2-hydroxy-5-(trifluoromethyl)-
IUPAC Name	2-hydroxy-5-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-4,13H
InChI Key	BXQPCQLNANMZFL-UHFFFAOYSA-N
MDL Number	MFCD16999709
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	OC1=C(C=O)C=C(C=C1)C(F)(F)F
Synonyms	2-HYDROXY-5-(TRIFLUOROMETHYL)BENZALDEHYDE, 210039-65-9, Benzaldehyde, 2-hydroxy-5-(trifluoromethyl)-, SCHEMBL248602, BXQPCQLNANMZFL-UHFFFAOYSA-N, 5-(Trifluoromethyl)salicylaldehyde, MFCD16999709, ZINC34573412, 2-hydroxy-5-trifluoromethylbenzaldehyde, 5-trifluoromethyl-2-hydroxybenzaldehyde, FCH1153920, MB25490, 2-hydroxy-5-trifluoromethyl-benzaldehyde, AS-46412, SC-49839, 2-hydroxy-5-(trifluoromethyl)-benzaldehyde, AX8257156, BB 0261350,

Complexity	190
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	1
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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