AG002QK9

251300-30-8 | Benzaldehyde, 5-bromo-2-hydroxy-3-(trifluoromethyl)-

AG002QK9

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CAS Number	251300-30-8
Catalog Number	AG002QK9(AGN-PC-0KKZGH)
Chemical Name	Benzaldehyde, 5-bromo-2-hydroxy-3-(trifluoromethyl)-
IUPAC Name	5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4BrF3O2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-3,14H
InChI Key	NCOPDQCEVBJGNB-UHFFFAOYSA-N
MDL Number	MFCD03788531
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	O=CC1=CC(Br)=CC(C(F)(F)F)=C1O
Synonyms	5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde, 251300-30-8, 5-Bromo-3-(trifluoromethyl)salicylaldehyde, PubChem8389, AC1MCV6I, SCHEMBL10323583, CTK7H8568, DTXSID60381362, NCOPDQCEVBJGNB-UHFFFAOYSA-N, KS-00003R1E, ZINC2510735, ZX-AP003151, 1971AB, ANW-65063, MFCD03788531, PC0843, AKOS016005195, FCH1322222, PS-7293, AJ-36487, BC003346, 5-Bromo-3-formyl-2-hydroxybenzotrifluoride, AX8234692, RT-020749, 5-bromo-2-hydroxy-3-trifluoromethylbenzaldehyde, K-6631, 2-Hydroxy-3-(trifluoromethyl)-5-bromobenzaldehyde, 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyd, A817662, J-015826, 5-bromanyl-2-oxidanyl-3-(trifluoromethyl)benzaldehyde, Benzaldehyde, 5-bromo-2-hydroxy-3-(trifluoromethyl)-, C8H4BrF3O2, CID2779278,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.017g/mol
Monoisotopic Mass	267.935g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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