AG005JC3

79538-30-0 | Methyl 2,6-difluoro-4-methylbenzoate

AG005JC3

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CAS Number	79538-30-0
Catalog Number	AG005JC3(AGN-PC-03WQWY)
Chemical Name	Methyl 2,6-difluoro-4-methylbenzoate
IUPAC Name	methyl 2,6-difluoro-4-methylbenzoate
InChI	InChI=1S/C9H8F2O2/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4H,1-2H3
InChI Key	UEZGFCDNTINKED-UHFFFAOYSA-N
MDL Number	MFCD23135649
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	COC(=O)C1=C(F)C=C(C)C=C1F
Synonyms	Methyl 2,6-difluoro-4-methylbenzoate, 79538-30-0, Methyl2,6-Difluoro-4-methylbenzoate, SCHEMBL12121020, CTK8C3785, KS-00000BXA, DTXSID90629249, 2428AC, ANW-70538, MFCD23135649, ZINC82046570, AKOS016002342, FCH2316251, BBV-49335691, CS-12192, SY039516, AJ-124265, AX8241090, TC-159283, ST24025155, MFCD23135649 (95%), C9H8F2O2,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.158g/mol
Monoisotopic Mass	186.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number