AG000RFD

1260849-23-7 | Benzoic acid, 2,6-difluoro-4-methoxy-, ethyl ester

AG000RFD

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CAS Number	1260849-23-7
Catalog Number	AG000RFD(AGN-PC-0WD481)
Chemical Name	Benzoic acid, 2,6-difluoro-4-methoxy-, ethyl ester
IUPAC Name	ethyl 2,6-difluoro-4-methoxybenzoate
InChI	InChI=1S/C10H10F2O3/c1-3-15-10(13)9-7(11)4-6(14-2)5-8(9)12/h4-5H,3H2,1-2H3
InChI Key	PWYVDWXBWUDXKK-UHFFFAOYSA-N
MDL Number	MFCD10566176
Molecular Formula	C10H10F2O3
Molecular Weight	216.1814
SMILES	O=C(OCC)C1=C(F)C=C(OC)C=C1F
Synonyms	ETHYL 2,6-DIFLUORO-4-METHOXYBENZOATE, 1260849-23-7, DTXSID10697506, MFCD10566176, ZINC95916003, DS-7692, AK143527, SC-42588, AJ-135343, AX8282783, Benzoic acid, 2,6-difluoro-4-methoxy-, ethyl ester,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.06g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.184g/mol
Monoisotopic Mass	216.06g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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