AG0056T7

81805-97-2 | 3-Bromo-5-ethoxy-4-methoxybenzaldehyde

AG0056T7

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CAS Number	81805-97-2
Catalog Number	AG0056T7(AGN-PC-0JXIY9)
Chemical Name	3-Bromo-5-ethoxy-4-methoxybenzaldehyde
IUPAC Name	3-bromo-5-ethoxy-4-methoxybenzaldehyde
InChI	InChI=1S/C10H11BrO3/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2/h4-6H,3H2,1-2H3
InChI Key	REGQXFPWCZJUGY-UHFFFAOYSA-N
MDL Number	MFCD02256580
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
SMILES	C1(OC)C(OCC)=CC(=CC=1Br)C=O
Synonyms	3-bromo-5-ethoxy-4-methoxybenzaldehyde, 81805-97-2, benzaldehyde, 3-bromo-5-ethoxy-4-methoxy-, AC1LH6RC, AC1Q35UN, AC1Q25T0, CTK5E9124, DTXSID30358248, ZINC453738, ALBB-001370, BBL013986, MFCD02256580, SBB019949, STK198747, AKOS000290630, MCULE-4176765451, 3-Ethoxy-4-methoxy-5-bromobenzaldehyde, AJ-22995, AB0223240, DB-028159, TR-051663, FT-0740179, ST45169189, EN300-08130, W-9353, AB00109488-01, SR-01000236403, 3-Bromo-5-ethoxy-4-methoxybenzaldehyde, AldrichCPR, SR-01000236403-1, AR-1H7880, CID882635, ZINC00453738, 83016-60-8,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.099g/mol
Monoisotopic Mass	257.989g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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