AG0039S5

856767-09-4 | 4-Bromo-2-fluoro-6-methoxybenzaldehyde

AG0039S5

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CAS Number	856767-09-4
Catalog Number	AG0039S5(AGN-PC-0BTZXE)
Chemical Name	4-Bromo-2-fluoro-6-methoxybenzaldehyde
IUPAC Name	4-bromo-2-fluoro-6-methoxybenzaldehyde
InChI	InChI=1S/C8H6BrFO2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3
InChI Key	RJWZBFAJSYHLOU-UHFFFAOYSA-N
MDL Number	MFCD22543644
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	O=CC1=C(OC)C=C(Br)C=C1F
Synonyms	4-Bromo-2-fluoro-6-methoxybenzaldehyde, 856767-09-4, Benzaldehyde, 4-bromo-2-fluoro-6-methoxy-, AK138298, SCHEMBL1630491, DTXSID40726479, RJWZBFAJSYHLOU-UHFFFAOYSA-N, KS-000024QA, MFCD22543644, ZINC89157280, AKOS022174024, CS-W019222, DS-3030, FCH2260117, 2-Fluoro-4-bromo-6-methoxybenzaldehyde, 4-bromo-2-fluoro-6-methoxy-benzaldehyde, AC-30451, AJ-128280, AX8259901, FT-0769234, ST24043382, Z0902, L-1243, 4-Bromo-2-fluoro-6-methoxybenzaldehyde, AldrichCPR, C8H6BrFO2,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

Lot Number