AG003MII

33118-85-3 | 5-Bromo-3-methylbenzofuran

AG003MII

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CAS Number	33118-85-3
Catalog Number	AG003MII(AGN-PC-0NIMYK)
Chemical Name	5-Bromo-3-methylbenzofuran
IUPAC Name	5-bromo-3-methyl-1-benzofuran
InChI	InChI=1S/C9H7BrO/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChI Key	MRQQUDYWELWUQO-UHFFFAOYSA-N
MDL Number	MFCD09836519
Molecular Formula	C9H7BrO
Molecular Weight	211.0553
SMILES	CC1=COC2=CC=C(Br)C=C12
Synonyms	5-bromo-3-methylbenzofuran, 33118-85-3, 5-BROMO-3-METHYL-1-BENZOFURAN, BENZOFURAN, 5-BROMO-3-METHYL-, 5-bromo-3-methyl-benzofuran, SCHEMBL789581, CTK8D3969, DTXSID20491577, MRQQUDYWELWUQO-UHFFFAOYSA-N, MFCD09836519, ZINC39208888, AKOS005067593, MB07839, TRA0011106, AJ-99082, AS-19626, SY027158, ST2406126, TC-010563, FT-0741738, Y1706, Z-3703, MFCD09836519 (97+%), Z2027049570, C9H7BrO,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.968g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.058g/mol
Monoisotopic Mass	209.968g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	13.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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