AG00GTG6

942475-12-9 | 5-Bromo-1,3-diethyl-2-iodo-benzene

AG00GTG6

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CAS Number	942475-12-9
Catalog Number	AG00GTG6(AGN-PC-0WD2R3)
Chemical Name	5-Bromo-1,3-diethyl-2-iodo-benzene
IUPAC Name	5-bromo-1,3-diethyl-2-iodobenzene
InChI	InChI=1S/C10H12BrI/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4H2,1-2H3
InChI Key	QNPKMLZHEDDJAX-UHFFFAOYSA-N
MDL Number	MFCD09743748
Molecular Formula	C10H12BrI
Molecular Weight	339.0107
SMILES	IC1=C(CC)C=C(Br)C=C1CC
Synonyms	5-Bromo-1,3-diethyl-2-iodobenzene, 942475-12-9, 1-Bromo-3,5-diethyl-4-iodobenzene, 5-bromo-1,3-diethyl-2-iodo-benzene, 5-Bromo-2-iodo-1,3-diethylbenzene, C10H12BrI, SCHEMBL3658093, CTK6D0920, DTXSID30661522, QNPKMLZHEDDJAX-UHFFFAOYSA-N, 4-bromo-2,6-diethyl-1-iodobenzene, MFCD09743748, ZINC59796756, AKOS015995377, AS00294, FCH1392445, FS-5251, Benzene, 5-bromo-1,3-diethyl-2-iodo-, AJ-113672, AX8258095, DB-079838, RT-020739, FT-0732938, X8412,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	337.917g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	339.014g/mol
Monoisotopic Mass	337.917g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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