AG001BQK

1398504-37-4 | Benzoic acid, 2,4-dichloro-6-fluoro-, methyl ester

AG001BQK

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CAS Number	1398504-37-4
Catalog Number	AG001BQK(AGN-PC-0WCYWQ)
Chemical Name	Benzoic acid, 2,4-dichloro-6-fluoro-, methyl ester
IUPAC Name	methyl 2,4-dichloro-6-fluorobenzoate
InChI	InChI=1S/C8H5Cl2FO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChI Key	NYSVGJCOIGNBSV-UHFFFAOYSA-N
MDL Number	MFCD22574195
Molecular Formula	C8H5Cl2FO2
Molecular Weight	223.0285
SMILES	ClC1=C(C(=O)OC)C(=CC(=C1)Cl)F
Synonyms	METHYL 2,4-DICHLORO-6-FLUOROBENZOATE, 1398504-37-4, SCHEMBL20644102, KS-00000Z8Z, CL8927, MFCD22574195, ZINC91692998, AKOS027339571, FCH2294153, AS-46140, AX8267152, X-3692, Benzoic acid, 2,4-dichloro-6-fluoro-, methyl ester,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.965g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.024g/mol
Monoisotopic Mass	221.965g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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