AG007CQF

108373-05-3 | 3-Bromo-4-ethoxybenzaldehyde

AG007CQF

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CAS Number	108373-05-3
Catalog Number	AG007CQF(AGN-PC-0K613D)
Chemical Name	3-Bromo-4-ethoxybenzaldehyde
IUPAC Name	3-bromo-4-ethoxybenzaldehyde
InChI	InChI=1S/C9H9BrO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-6H,2H2,1H3
InChI Key	TZUUPGZANQRCHD-UHFFFAOYSA-N
MDL Number	MFCD00672941
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	O=CC1=CC=C(OCC)C(Br)=C1
Synonyms	3-bromo-4-ethoxybenzaldehyde, 108373-05-3, Benzaldehyde, 3-bromo-4-ethoxy-, PubChem2640, AC1LSSYD, ACMC-1C46Z, SCHEMBL493460, Benzaldehyde,3-bromo-4-ethoxy-, CTK4A6019, KS-00000NIB, 3-bromanyl-4-ethoxy-benzaldehyde, DTXSID50363470, TZUUPGZANQRCHD-UHFFFAOYSA-N, ZINC1410688, ANW-15936, BBL022968, MFCD00672941, STL293657, AKOS000290632, AS03793, MCULE-9108226880, OTAVA-BB 7020672675, AJ-25733, AK-89163, AS-19676, BC002315, CJ-04914, SY041357, AB0036444, TC-104681, ST24041865, Y3641, MFCD00672941 (95%), B-6420, A801866, I01-9329, C9H9BrO2, ZINC01410688, CID1494336, B5079,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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