AG00GZNO

861928-20-3 | 5-Bromo-4-fluoro-2-iodotoluene

AG00GZNO

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CAS Number	861928-20-3
Catalog Number	AG00GZNO(AGN-PC-0WAJWQ)
Chemical Name	5-Bromo-4-fluoro-2-iodotoluene
IUPAC Name	1-bromo-2-fluoro-4-iodo-5-methylbenzene
InChI	InChI=1S/C7H5BrFI/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3
InChI Key	VHRSAHJSLCELMF-UHFFFAOYSA-N
MDL Number	MFCD09800686
Molecular Formula	C7H5BrFI
Molecular Weight	314.9215
SMILES	CC1=C(I)C=C(F)C(Br)=C1
Synonyms	5-Bromo-4-fluoro-2-iodotoluene, 861928-20-3, 1-Bromo-2-fluoro-4-iodo-5-methylbenzene, SCHEMBL12611014, DTXSID20479678, VHRSAHJSLCELMF-UHFFFAOYSA-N, MFCD09800686, ZINC63360958, AKOS005256385, FS-4214, DA-02484, 1-Iodo-2-methyl-4-bromo-5-fluorobenzene, 1-bromo-2-fluoro-4-iodo-5-methyl-benzene, AJ-114376, FT-0706813, ST24037853, Z0909, Benzene, 1-bromo-2-fluoro-4-iodo-5-methyl-, Q-7423, C7H5BrFI,

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-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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