AG00709F

220996-80-5 | 4-Bromo-2-(trifluoromethoxy)benzaldehyde

AG00709F

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CAS Number	220996-80-5
Catalog Number	AG00709F(AGN-PC-01ZZI3)
Chemical Name	4-Bromo-2-(trifluoromethoxy)benzaldehyde
IUPAC Name	4-bromo-2-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H4BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-4H
InChI Key	AXZVKHIUQLEMPJ-UHFFFAOYSA-N
MDL Number	MFCD12406886
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	BrC1=CC(=C(C=O)C=C1)OC(F)(F)F
Synonyms	4-Bromo-2-(trifluoromethoxy)benzaldehyde, 220996-80-5, 4-Bromo-2-trifluoromethoxybenzaldehyde, 4-bromo-2-trifluoromethoxy-benzaldehyde, AK-34173, 4-bromo-2-(trifluoro-methoxy)benzaldehyde, Benzaldehyde, 4-bromo-2-(trifluoromethoxy)-, 4-bromo-2-[(trifluoromethyl)oxy]benzaldehyde, PubChem13829, ACMC-209frv, SCHEMBL207935, CTK4E8555, KS-00000HFS, DTXSID90595692, AXZVKHIUQLEMPJ-UHFFFAOYSA-N, EBD53667, ZX-AP009853, ANW-24713, DT1398, MFCD12406886, ZINC40186598, 2-Trifluoromethoxy-4-bromobenzaldehyde, AKOS005063512, AM84209, AN-1550, CS-W022089, CT-1005, FCH1345625, GS-3633, PC49239, RP29574, TF10277, 4-bromo-2-trifluoromethoxy-benzaldehyde;, ACM220996805, BC003813, BR-34173, CJ-20054, SY030424, 4-bromo-2-(trifluoromethoxy)benzaldehyde;, 4-bromo-2-(trifluoro-methoxy)benzaldehyde;, AB0023493, AJ-101613, AX8158496, Benzaldehyde,4-bromo-2-(trifluoromethoxy)-, TC-060380, 4CH-002945, FT-0647704, ST24028928, W4564, MFCD12406886 (95%), 4-bromo-2-[(trifluoromethyl)oxy]benzaldehyde;, B-7952, 996B805, I01-6254, J-514591, 4-Bromo-2-(trifluoromethoxy)benzaldehyde, AldrichCPR, 4-Bromo-2- benzaldehyde, C8H4BrF3O2, ACN-050433, A1591,

Complexity	207
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	0
Isotope Atom Count	0
Molecular Weight	269.017g/mol
Monoisotopic Mass	267.935g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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