AG00EIDS

586374-04-1 | Methyl 2-fluoro-3-methylbenzoate

AG00EIDS

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CAS Number	586374-04-1
Catalog Number	AG00EIDS(AGN-PC-03JN8D)
Chemical Name	Methyl 2-fluoro-3-methylbenzoate
IUPAC Name	methyl 2-fluoro-3-methylbenzoate
InChI	InChI=1S/C9H9FO2/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key	POZOQUQLMIPBQP-UHFFFAOYSA-N
MDL Number	MFCD10698751
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(OC)C1=CC=CC(C)=C1F
Synonyms	Methyl 2-fluoro-3-methylbenzoate, 586374-04-1, SCHEMBL1057706, CTK1E0053, KS-00000PTB, DTXSID20622021, methyl 2 fluoro-3-methylbenzoate, POZOQUQLMIPBQP-UHFFFAOYSA-N, ACT12840, ANW-45904, MFCD10698751, ZINC21299675, AKOS006304867, CM12757, CS-W022807, AJ-78284, AK-86744, DS-18223, ST2407151, TC-134649, TL8003751, 4CH-016834, FT-0709375, W7170, Benzoic acid, 2-fluoro-3-methyl-, methyl ester, C9H9FO2, METHYL2-FLUORO-3-METHYLBENZOATE,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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