AG0096LR

1187318-53-1 | Methyl 3-bromo-5-fluoro-2-methylbenzoate

AG0096LR

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CAS Number	1187318-53-1
Catalog Number	AG0096LR(AGN-PC-0WAMEE)
Chemical Name	Methyl 3-bromo-5-fluoro-2-methylbenzoate
IUPAC Name	methyl 3-bromo-5-fluoro-2-methylbenzoate
InChI	InChI=1S/C9H8BrFO2/c1-5-7(9(12)13-2)3-6(11)4-8(5)10/h3-4H,1-2H3
InChI Key	SHONDVRWLQICAZ-UHFFFAOYSA-N
MDL Number	MFCD19440363
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	O=C(OC)C1=CC(F)=CC(Br)=C1C
Synonyms	1187318-53-1, methyl 3-bromo-5-fluoro-2-methylbenzoate, 3-BROMO-5-FLUORO-2-METHYL-BENZOIC ACID METHYL ESTER, SCHEMBL3413587, KS-00000BWX, SHONDVRWLQICAZ-UHFFFAOYSA-N, MFCD19440363, ZINC89064168, AKOS017558031, Methyl3-Bromo-5-fluoro-2-methylbenzoate, AK187252, DS-10104, SY037505, CS-0061182, MFCD19440363 (95%),

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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