AG0016V8

1221716-04-6 | Benzaldehyde, 4-bromo-3-(trifluoromethoxy)-

AG0016V8

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CAS Number	1221716-04-6
Catalog Number	AG0016V8(AGN-PC-0WD2RA)
Chemical Name	Benzaldehyde, 4-bromo-3-(trifluoromethoxy)-
IUPAC Name	4-bromo-3-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H4BrF3O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-4H
InChI Key	OXGOZHICCQUYTM-UHFFFAOYSA-N
MDL Number	MFCD12924842
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	O=CC1=CC=C(Br)C(OC(F)(F)F)=C1
Synonyms	4-BROMO-3-(TRIFLUOROMETHOXY)BENZALDEHYDE, 1221716-04-6, SCHEMBL5073125, DTXSID30634493, OXGOZHICCQUYTM-UHFFFAOYSA-N, KS-00003R1D, ZX-AP003348, MFCD12924842, ZINC75758252, AKOS022171824, FCH1378659, PC49240, PS-7291, AJ-121895, AX8258119, DB-062016, Benzaldehyde, 4-bromo-3-(trifluoromethoxy)-, CS-0084746, FT-0767560,

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

Certificate of Analysis

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