AG009HMZ

1427409-40-2 | Methyl 4-bromo-2-fluoro-6-methylbenzoate

AG009HMZ

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CAS Number	1427409-40-2
Catalog Number	AG009HMZ(AGN-PC-0JK2F5)
Chemical Name	Methyl 4-bromo-2-fluoro-6-methylbenzoate
IUPAC Name	methyl 4-bromo-2-fluoro-6-methylbenzoate
InChI	InChI=1S/C9H8BrFO2/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4H,1-2H3
InChI Key	CGSQFHPDASRYOX-UHFFFAOYSA-N
MDL Number	MFCD23703481
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	O=C(OC)C1=C(C)C=C(Br)C=C1F
Synonyms	METHYL 4-BROMO-2-FLUORO-6-METHYLBENZOATE, 1427409-40-2, SCHEMBL17419113, CGSQFHPDASRYOX-UHFFFAOYSA-N, CL9030, MFCD23703481, ZINC95642858, FCH2329608, AK200498, CJ-22737, DS-10233, AB0058173, AX8262104, X-1450, methyl 2-bromo-4-fluoro-6-methylbenzoate,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.063g/mol
Monoisotopic Mass	245.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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