AG007JMM

314084-61-2 | 2-Bromo-1,3-diethyl-5-methylbenzene

AG007JMM

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CAS Number	314084-61-2
Catalog Number	AG007JMM(AGN-PC-00BZN4)
Chemical Name	2-Bromo-1,3-diethyl-5-methylbenzene
IUPAC Name	2-bromo-1,3-diethyl-5-methylbenzene
InChI	InChI=1S/C11H15Br/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5H2,1-3H3
InChI Key	QWIITRRSNVBPDK-UHFFFAOYSA-N
MDL Number	MFCD16036168
Molecular Formula	C11H15Br
Molecular Weight	227.1408
SMILES	CCC1=CC(C)=CC(CC)=C1Br
UNII	699EQJ37G1
Synonyms	2-Bromo-1,3-diethyl-5-methylbenzene, 314084-61-2, 2,6-DIETHYL-4-METHYLBROMOBENZENE, 1-Bromo-2,6-diethyl-4-methylbenzene, UNII-699EQJ37G1, Benzene, 2-bromo-1,3-diethyl-5-methyl-, 2,6-Diethyl-4-methylphenyl bromide, 699EQJ37G1, AK102963, 2-bromo-1,3-diethyl-5-methyl-benzene, SCHEMBL469841, CTK8C0762, KS-00000QAT, DTXSID60468889, QWIITRRSNVBPDK-UHFFFAOYSA-N, 2,6-diethyl-4-methylb-romobenzene, ANW-65237, MFCD16036168, ZINC59796806, 2,6-Diethyl-4-methyl-1-bromobenzene, AKOS015995459, CS-W005228, DS-3986, FCH1391575, 2,6-diethyl pound-4-methyl-bromobenzene, CJ-20891, SC-44327, AB0054332, AJ-113683, AX8234502, TC-153982, 4CH-011936, ST24022018, Z4585, M-8157, C11H15Br, CID11579491, 1189735-08-7,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.145g/mol
Monoisotopic Mass	226.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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