AG00BFMU

21852-50-6 | 5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE

AG00BFMU

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CAS Number	21852-50-6
Catalog Number	AG00BFMU(AGN-PC-0N3318)
Chemical Name	5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE
EC Number	606-845-7
IUPAC Name	5-(bromomethyl)-1,2,3-trimethoxybenzene
InChI	InChI=1S/C10H13BrO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
InChI Key	QEGDRYOJTONTLO-UHFFFAOYSA-N
MDL Number	MFCD02262191
Molecular Formula	C10H13BrO3
Molecular Weight	261.1124
SMILES	COC1=C(OC)C(OC)=CC(CBr)=C1
Synonyms	5-(Bromomethyl)-1,2,3-trimethoxybenzene, 21852-50-6, 3,4,5-TRIMETHOXYBENZYL BROMIDE, 5-bromomethyl-1,2,3-trimethoxy-benzene, Benzene, 5-(bromomethyl)-1,2,3-trimethoxy-, Benzene,5-(bromomethyl)-1,2,3-trimethoxy-, SCHEMBL722969, 3,4,5-Trimethoxybenzylbromide, CTK4E7787, 3,4,5-trimethoxy-benzyl bromide, DTXSID90438636, QEGDRYOJTONTLO-UHFFFAOYSA-N, 3,4,5-trimethoxyl benzyl bromide, 3,4,5-trimethoxyl benzyl bromine, ZINC2581443, MFCD02262191, AKOS009307154, DS-6038, 1-(bromomethyl)-3,4,5-trimethoxybenzene, AJ-43028, AK129191, SC-26292, TL8001807, FT-0698022, I01-8850, F2147-0710, CID10355271, 5-(bromomethyl)-1,2,3-trimethoxy-benzene,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.005g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.115g/mol
Monoisotopic Mass	260.005g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number