AG000S28

1261869-14-0 | Methyl 2-chloro-4,6-difluorobenzoate

AG000S28

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CAS Number	1261869-14-0
Catalog Number	AG000S28(AGN-PC-0JK2EY)
Chemical Name	Methyl 2-chloro-4,6-difluorobenzoate
IUPAC Name	methyl 2-chloro-4,6-difluorobenzoate
InChI	InChI=1S/C8H5ClF2O2/c1-13-8(12)7-5(9)2-4(10)3-6(7)11/h2-3H,1H3
InChI Key	AGTGSYGWBGMUSG-UHFFFAOYSA-N
MDL Number	MFCD16250105
Molecular Formula	C8H5ClF2O2
Molecular Weight	206.5739
SMILES	O=C(OC)C1=C(F)C=C(F)C=C1Cl
Synonyms	METHYL 2-CHLORO-4,6-DIFLUOROBENZOATE, 1261869-14-0, DTXSID60857436, CL8929, MFCD16250105, ZINC91692999, AS-46141, X-3685, Benzoic acid, 2-chloro-4,6-difluoro-, methyl ester, 128800-36-2,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.995g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.573g/mol
Monoisotopic Mass	205.995g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H320-H335
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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