AG003KYW

870704-15-7 | 1-Bromo-2-fluoro-5-iodo-4-methylbenzene

AG003KYW

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CAS Number	870704-15-7
Catalog Number	AG003KYW(AGN-PC-0KL1WN)
Chemical Name	1-Bromo-2-fluoro-5-iodo-4-methylbenzene
IUPAC Name	1-bromo-2-fluoro-5-iodo-4-methylbenzene
InChI	InChI=1S/C7H5BrFI/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3
InChI Key	ACDTXEFSNCPJED-UHFFFAOYSA-N
MDL Number	MFCD06200719
Molecular Formula	C7H5BrFI
Molecular Weight	314.9215
SMILES	CC1=C(I)C=C(Br)C(F)=C1
Synonyms	870704-15-7, 4-Bromo-5-fluoro-2-iodotoluene, 1-bromo-2-fluoro-5-iodo-4-methylbenzene, 4-Bromo-2-iodo-5-fluorotoluene, 2-Iodo-4-bromo-5-fluorotoluene, PubChem10409, ACMC-20amn0, ENDOTHERM ENU306, AC1MD33S, CTK5F7702, DTXSID70382300, 3732AC, KM2472, MFCD06200719, ZINC57989222, AKOS016012070, AM62211, QC-7888, 4-Bromo-5-fluoro-2-iodotoluene, 97%, BC003533, PS-10228, AJ-113089, DB-076824, TC-169011, FT-0734617, A841931, 1-bromanyl-2-fluoranyl-5-iodanyl-4-methyl-benzene, C7H5BrFI, ACN-056251, CID2782794, 1-bromo-2-fluoro-5-iodo-4-methyl-benzene,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.86g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	314.924g/mol
Monoisotopic Mass	313.86g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H413
Packing Group
Precautionary statements	P264-P270-P273-P301+P312-P330
UN Code

Certificate of Analysis

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