AG00HCFY

112822-82-9 | Benzene, 1-bromo-2,4,5-trifluoro-3-methyl-

AG00HCFY

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CAS Number	112822-82-9
Catalog Number	AG00HCFY(AGN-PC-0009ED)
Chemical Name	Benzene, 1-bromo-2,4,5-trifluoro-3-methyl-
IUPAC Name	1-bromo-2,4,5-trifluoro-3-methylbenzene
InChI	InChI=1S/C7H4BrF3/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChI Key	MARJTTMEOKZEQJ-UHFFFAOYSA-N
MDL Number	MFCD16621735
Molecular Formula	C7H4BrF3
Molecular Weight	225.0059
SMILES	CC1=C(F)C(Br)=CC(F)=C1F
Synonyms	1-Bromo-2,4,5-trifluoro-3-methylbenzene, 112822-82-9, AK137080, SCHEMBL334330, 3-bromo-2,5,6-trifluorotoluene, DTXSID60555107, MARJTTMEOKZEQJ-UHFFFAOYSA-N, KS-00000RP7, MFCD16621735, ZINC95829863, AKOS022171524, CS-W006310, DS-5669, FCH1346251, AJ-134011, AX8258648, ST2403351, 4CH-017014, Benzene, 1-bromo-2,4,5-trifluoro-3-methyl-,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.945g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.008g/mol
Monoisotopic Mass	223.945g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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