AG00DBRH

439814-87-6 | 4-Bromo-2-fluorobenzaldehyde dimethyl acetal

AG00DBRH

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CAS Number	439814-87-6
Catalog Number	AG00DBRH(AGN-PC-01VUY2)
Chemical Name	4-Bromo-2-fluorobenzaldehyde dimethyl acetal
EC Number	610-160-9
IUPAC Name	4-bromo-1-(dimethoxymethyl)-2-fluorobenzene
InChI	InChI=1S/C9H10BrFO2/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3
InChI Key	LUBJMTAUCIBGNJ-UHFFFAOYSA-N
MDL Number	MFCD07780632
Molecular Formula	C9H10BrFO2
Molecular Weight	249.0769
SMILES	FC1=CC(Br)=CC=C1C(OC)OC
Synonyms	4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene, 439814-87-6, 4-Bromo-2-fluorobenzaldehyde dimethyl acetal, AK146301, Benzene, 4-bromo-1-(dimethoxymethyl)-2-fluoro-, PubChem5232, SCHEMBL5496500, CTK4I7908, KS-00000NZC, DTXSID30593672, LUBJMTAUCIBGNJ-UHFFFAOYSA-N, ZX-AP010052, MFCD07780632, PC2211, SBB100516, ZINC16158738, AKOS022185692, AS03810, CS-W022085, DS-8494, FCH1385590, (4-bromo-2-fluorophenyl)dimethoxymethane, ACM439814876, AJ-68584, BC002908, 4-bromo-1-dimethoxymethyl-2-fluorobenzene, AX8094863, ST24043302, 4-bromo-1-(dimethoxymethyl)-2-fluoro-benzene,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.985g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.079g/mol
Monoisotopic Mass	247.985g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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