AG002Z8Y

2973-58-2 | Benzaldehyde, 2-bromo-3-hydroxy-4-methoxy-

AG002Z8Y

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CAS Number	2973-58-2
Catalog Number	AG002Z8Y(AGN-PC-0JNCLK)
Chemical Name	Benzaldehyde, 2-bromo-3-hydroxy-4-methoxy-
IUPAC Name	2-bromo-3-hydroxy-4-methoxybenzaldehyde
InChI	InChI=1S/C8H7BrO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3
InChI Key	QPDFBPIHEDAUKK-UHFFFAOYSA-N
MDL Number	MFCD02380230
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O=CC1=CC=C(OC)C(O)=C1Br
Synonyms	2-bromoisovanillin, 2-Bromo-3-hydroxy-4-methoxybenzaldehyde, 2973-58-2, 2-Bromoisovanillin, Benzaldehyde, 2-bromo-3-hydroxy-4-methoxy-, bromovanin, NSC12212, 2-bromo-3-hydroxy-4-methoxy-benzaldehyde, AC1L5CZB, AC1Q25GN, SCHEMBL149415, CTK1A1786, KS-00000MDF, ZINC57109, DTXSID70279307, 2-Bromo-3-hydroxy-p-anisaldehyde, QPDFBPIHEDAUKK-UHFFFAOYSA-N, 2-Bromo-3-formyl-6-methoxyphenol, MFCD02380230, NSC 12212, NSC-12212, NSC139143, SBB016534, STK398249, AKOS000273562, MCULE-1092155108, NE12107, NSC 139143, NSC-139143, RTC-030271, VZ23919, AK326709, DS-11892, ZB001981, Benzaldehyde,2-bromo-3-hydroxy-4-methoxy-, DB-047638, TC-030271, FT-0634584, ST45058718, 2-Bromo-3-hydroxy-4-methoxybenzaldehyde, 97%, B90010, J-017615, I01-17850, AR-1D9454, CID224011, 2973-59-3, 35041-92-0,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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