AG002Z8X

2973-59-3 | Benzaldehyde, 2-bromo-5-hydroxy-4-methoxy-

AG002Z8X

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CAS Number	2973-59-3
Catalog Number	AG002Z8X(AGN-PC-0JTUKX)
Chemical Name	Benzaldehyde, 2-bromo-5-hydroxy-4-methoxy-
IUPAC Name	2-bromo-5-hydroxy-4-methoxybenzaldehyde
InChI	InChI=1S/C8H7BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,1H3
InChI Key	AHYSXUDLJOFNAB-UHFFFAOYSA-N
MDL Number	MFCD00195552
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	BrC1=C(C=O)C=C(C(=C1)OC)O
Synonyms	2-Bromo-5-hydroxy-4-methoxybenzaldehyde, 2973-59-3, 5-Bromoisovanillin, 6-BROMOISOVANILLIN, 2-bromo-5-hydroxy-4-methoxy-benzaldehyde, Benzaldehyde, 2-bromo-5-hydroxy-4-methoxy-, AHYSXUDLJOFNAB-UHFFFAOYSA-N, PubChem21946, 5-BROMOISOVANILIN, AC1LDCK0, ACMC-209z1m, KSC795A7P, SCHEMBL1320502, Jsp005628, CTK6J5077, KS-00000AYY, ZINC57570, DTXSID10346880, 4-Bromo-5-formyl-2-methoxyphenol, 5-Bromoisovanillin; 2-Bromo-5-hydroxy-4-methoxybenzaldehyde, 5-Bromo-4-formyl-2-hydroxyanisole, ACT06903, BCP17233, AC-177, ANW-49688, MFCD00195552, SBB063307, AKOS000120871, CB-3354, CS-W002508, MCULE-8906618737, RP05540, 2-bromo-5-hydroxy-4-methoxy benzaldehyde, AJ-09728, AK-25722, AN-16109, BC004697, BC227967, BR-25722, CJ-00476, SC-12464, SY004600, ZB002166, 2-Bromo-5-hydroxy-4-methoxybenzaldehyde #, AB0024036, AB1011866, DB-006015, ST2416590, TC-138433, 4CH-006054, AM20060599, C3411, FT-0601404, ST51037544, W5222, MFCD00195552 (96%), 2-?Bromo-?5-?hydroxy-?4-?methoxybenzaldehyde, B90013, Benzenealdehyde, 2-bromo-5-hydroxy-4-methoxy-, S-1429, 6-BROMO-3-HYDROXY-4-METHOXYBENZALDEHYDE, 2-BROMO-4-METHOXY-5-HYDROXY BENZALDEHYDE, 973B593, SR-01000041090, I01-1216, J-508378, SR-01000041090-1, 2-Bromo-5-hydroxy-4-methoxybenzaldehyde, technical, >=90% (HPLC), 2-Bromoisovanillin, C8H7BrO3, CID616068, ZINC00057570, ACN-001566, GS-4093, EC 426-540-0,

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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