AG009CH5

1427438-75-2 | Benzonitrile, 4-bromo-2-fluoro-6-methyl-

AG009CH5

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CAS Number	1427438-75-2
Catalog Number	AG009CH5(AGN-PC-0WNRYP)
Chemical Name	Benzonitrile, 4-bromo-2-fluoro-6-methyl-
IUPAC Name	4-bromo-2-fluoro-6-methylbenzonitrile
InChI	InChI=1S/C8H5BrFN/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
InChI Key	NQKDPPUHIHCHGG-UHFFFAOYSA-N
MDL Number	MFCD21337355
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	N#CC1=C(C)C=C(Br)C=C1F
Synonyms	4-bromo-2-fluoro-6-methylbenzonitrile, 1427438-75-2, 2-FLUORO-6-METHYL-4-BROMOBENZONITRILE, SCHEMBL13868306, WT389, CS-M3141, KS-00001F3U, MFCD21337355, ZINC98213428, FCH1610291, AK317364, Benzonitrile,4-bromo-2-fluoro-6-methyl-, DS-11491, SC-94891, Benzonitrile, 4-bromo-2-fluoro-6-methyl-, AX8271171,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.037g/mol
Monoisotopic Mass	212.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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