AG000WBQ

1314987-38-6 | 4-Bromo-3-(Trifluoromethyl)Benzaldehyde Dimethyl Acetal

AG000WBQ

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CAS Number	1314987-38-6
Catalog Number	AG000WBQ(AGN-PC-0WAA3A)
Chemical Name	4-Bromo-3-(Trifluoromethyl)Benzaldehyde Dimethyl Acetal
IUPAC Name	1-bromo-4-(dimethoxymethyl)-2-(trifluoromethyl)benzene
InChI	InChI=1S/C10H10BrF3O2/c1-15-9(16-2)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9H,1-2H3
InChI Key	VJXCLYNQGFPBNV-UHFFFAOYSA-N
MDL Number	MFCD19684125
Molecular Formula	C10H10BrF3O2
Molecular Weight	299.0844
SMILES	FC(C1=CC(C(OC)OC)=CC=C1Br)(F)F
Synonyms	1314987-38-6, 1-Bromo-4-(dimethoxymethyl)-2-(trifluoromethyl)benzene, 4-Bromo-3-(trifluoromethyl)benzaldehyde dimethyl acetal, ACMC-209bmh, CTK8B0114, DTXSID00716513, ANW-19335, MFCD19684125, ZINC74937864, AKOS015888711, AJ-121476, AX8239674, TC-108080, ST24021264, Z9601, A-2667, I01-11560, Benzene, 1-bromo-4-(dimethoxymethyl)-2-(trifluoromethyl)-, C10H10BrF3O2, VJXCLYNQGFPBNV-UHFFFAOYSA-N,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.982g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	299.087g/mol
Monoisotopic Mass	297.982g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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