AG002Z8V

2973-76-4 | 3-Bromo-4-hydroxy-5-methoxybenzaldehyde

AG002Z8V

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CAS Number	2973-76-4
Catalog Number	AG002Z8V(AGN-PC-0JKDVJ)
Chemical Name	3-Bromo-4-hydroxy-5-methoxybenzaldehyde
EC Number	221-016-6
IUPAC Name	3-bromo-4-hydroxy-5-methoxybenzaldehyde
InChI	InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChI Key	KLSHZDPXXKAHIJ-UHFFFAOYSA-N
MDL Number	MFCD00006940
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O(C)c1c(O)c(Br)cc(c1)C=O
UNII	508WVS56PW
Synonyms	4-hydroxy-3-methoxybenzaldehyde, 5-bromovanillin, 5-chlorovanillin, vanillaldehyde, vanillin, vanillin, sodium salt, 5-BROMOVANILLIN, 2973-76-4, 3-Bromo-4-hydroxy-5-methoxybenzaldehyde, Benzaldehyde, 3-bromo-4-hydroxy-5-methoxy-, Vanillin, 5-bromo-, 5-Bromo-4-hydroxy-3-methoxybenzaldehyde, NSC 29037, NSC 10073, 3-bromo-4-hydroxy-5-methoxy-benzaldehyde, EINECS 221-016-6, MFCD00006940, UNII-508WVS56PW, 508WVS56PW, KLSHZDPXXKAHIJ-UHFFFAOYSA-N, 3-bromo-4-hydroxy-5-(methyloxy)benzaldehyde, 5-Bromovanillin (3-Bromo-4-hydroxy-5-methoxybenzaldehyde), 5-bromovaniline, 5-Bromovanilline, 5-bromo-vanilline, PubChem8197, ACMC-209hat, 5-Bromovanillin, 97%, AC1L2BCE, KSC203G3D, ARONIS24140, SCHEMBL565133, ghl.PD_Mitscher_leg0.1018, AC1Q489E, CHEMBL467332, Jsp005630, DTXSID7022203, CTK1A3331, ZINC56430, ACT08241, ALBB-014021, EBD12057, KS-000046QP, NSC10073, NSC29037, STR06093, ANW-26691, BBL023239, NSC-10073, NSC-29037, SBB016336, STK082542, AKOS000119561, AC-4246, ACN-043152, CS-W001120, MCULE-7545861421, PS-3481, RP05541, RTR-012876, TRA0090499, VZ30164, 3-bromo-5-methoxy-4-hydroxybenzaldehyde, 3-bromo4-hydroxy-5-methoxy-benzaldehyde, 3-bromo-4-hydroxy-5-methoxy benzaldehyde, 3-methoxy-4-hydroxy-5-bromo-benzaldehyde, AJ-09254, AN-12165, BC003322, CJ-00341, R347, SY017954, ZB001634, AB1007846, DB-047639, LS-184933, ST2417527, TR-012876, FT-0620059, ST45028916, 3-bromanyl-5-methoxy-4-oxidanyl-benzaldehyde, KS-00001029, MFCD00006940 (95%), K-7188, 973B764, A820035, I01-1217, W-106976, F3099-6594, InChI=1/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H, C8H7BrO3, C8-H7-Br-O3, CID18099, CS-M-42993, 3-Bromo-4-hydroxy-5-methoxybenzoic acid, 5-Bromovanillin, 97% - 100G 100g, B1172,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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