AG003J19

6948-30-7 | 3-Bromo-4,5-dimethoxybenzaldehyde

AG003J19

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CAS Number	6948-30-7
Catalog Number	AG003J19(AGN-PC-0JLT7J)
Chemical Name	3-Bromo-4,5-dimethoxybenzaldehyde
EC Number	230-113-2
IUPAC Name	3-bromo-4,5-dimethoxybenzaldehyde
InChI	InChI=1S/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChI Key	ICVODPFGWCUVJC-UHFFFAOYSA-N
MDL Number	MFCD00003346
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
NSC Number	55757
SMILES	COC1=CC(C=O)=CC(Br)=C1OC
Synonyms	3-Bromo-4,5-dimethoxybenzaldehyde, 6948-30-7, 5-Bromoveratraldehyde, 3-Bromo-4,5-dimethoxy benzaldehyde, 3,4-dimethoxy-5-bromobenzaldehyde, Benzaldehyde, 3-bromo-4,5-dimethoxy-, ICVODPFGWCUVJC-UHFFFAOYSA-N, Benzaldehyde,3-bromo-4,5-dimethoxy-, 3-Bromo-4,5-dimethoxybenzaldehyde, 97%, NSC55757, EINECS 230-113-2, 5-bromoveratric aldehyde, ACMC-209ml7, AC1Q25ST, Cambridge id 7187634, 5-Bromoveratraldehyde, 98%, 5-BROMVERATRUMALDEHYDE, SCHEMBL524712, AC1L317F, AC1Q46F7, CTK5D0103, ZINC56431, DTXSID40219699, ZERENEX E/4048023, 5-bromo-3,4-dimethoxybenzaldehyde, ALBB-001375, 3-bromo-4,5-dimethoxy-benzaldehyde, 5-bromo-3,4-dimethoxy-benzaldehyde, ANW-33545, BBL015522, MFCD00003346, NSC-55757, SBB012453, STK033136, 3-bromo-4,5-dimethoxy-benz-aldehyde, AKOS000274329, ACN-049315, MCULE-2449889637, RL04657, VZ26420, KS-000013W6, AC-12535, AJ-09255, AM804240, BC005197, BP-11985, CJ-00342, ST066895, ZB001635, AB0059074, DB-022325, TR-051668, B3130, CS-0059215, FT-0636303, R1064, ST24041858, V6873, J-511904, InChI=1/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H, C9H9BrO3, 2-Bromomethyl-benzaldehyde, C9-H9-Br-O3, CID81379, AR-1F2234, 60633-91-2, 7150-32-5,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number