AG003BRA

38493-59-3 | 3-BROMO-4-METHOXYBENZYL ALCOHOL

AG003BRA

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CAS Number	38493-59-3
Catalog Number	AG003BRA(AGN-PC-00N0TV)
Chemical Name	3-BROMO-4-METHOXYBENZYL ALCOHOL
IUPAC Name	(3-bromo-4-methoxyphenyl)methanol
InChI	InChI=1S/C8H9BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChI Key	QOUYJSKYVZRGCV-UHFFFAOYSA-N
MDL Number	MFCD01861398
Molecular Formula	C8H9BrO2
Molecular Weight	217.0599
SMILES	OCC1=CC=C(OC)C(Br)=C1
Synonyms	(3-Bromo-4-methoxyphenyl)methanol, 38493-59-3, 3-Bromo-4-methoxybenzyl alcohol, Benzenemethanol, 3-bromo-4-methoxy-, KSC580A6R, 3-bromo4-methoxybenzyl alcohol, SCHEMBL2500053, CTK4I0068, KS-00000NIH, DTXSID20543585, QOUYJSKYVZRGCV-UHFFFAOYSA-N, ZINC2386146, ANW-72889, MFCD01861398, TD1290, (3-bromo-4-methoxy-phenyl)-methanol, AKOS000126159, AS03961, CS-W008397, FS-2091, TRA0169552, AJ-35288, AK-34956, CJ-08284, SC-38782, SY030170, AB0042679, DB-013223, TC-161634, 4CH-000266, FT-0713220, ST24032040, Z0562, MFCD01861398 (95%), Q-8205, C8H9BrO2, 3-BROMO-4-METHOXYBENZYLALCOHOL, 102-08-9,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.979g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.062g/mol
Monoisotopic Mass	215.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^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
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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