AG001PWC

1580-05-8 | Benzene, 2-bromo-4-fluoro-1,3,5-trimethyl-

AG001PWC

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CAS Number	1580-05-8
Catalog Number	AG001PWC(AGN-PC-0WANE3)
Chemical Name	Benzene, 2-bromo-4-fluoro-1,3,5-trimethyl-
IUPAC Name	2-bromo-4-fluoro-1,3,5-trimethylbenzene
InChI	InChI=1S/C9H10BrF/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
InChI Key	ZFFSUDYUALDHPF-UHFFFAOYSA-N
MDL Number	MFCD22683870
Molecular Formula	C9H10BrF
Molecular Weight	217.0781
SMILES	CC1=C(F)C(C)=C(Br)C(C)=C1
Synonyms	2-Bromo-4-fluoro-1,3,5-trimethylbenzene, 1580-05-8, 3-Bromo-2,4,6-trimethylfluorobenzene, AK155913, BENZENE, 2-BROMO-4-FLUORO-1,3,5-TRIMETHYL-, 2-Bromo-4-fluoromesitylene, Intermediates-ZCF02196, MFCD22683870, ZINC91251920, AKOS024219121, AS05665, CM12117, DS-8658, FCH2307835, AJ-129212, AX8290298, 4CH-002424, CS-0061221,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.995g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.081g/mol
Monoisotopic Mass	215.995g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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