AG00AOUN

15307-78-5 | Methyl 2-(2,6-Dichloroanilino)phenylacetate

AG00AOUN

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CAS Number	15307-78-5
Catalog Number	AG00AOUN(AGN-PC-0JS8OS)
Chemical Name	Methyl 2-(2,6-Dichloroanilino)phenylacetate
IUPAC Name	methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
InChI	InChI=1S/C15H13Cl2NO2/c1-20-14(19)9-10-5-2-3-8-13(10)18-15-11(16)6-4-7-12(15)17/h2-8,18H,9H2,1H3
InChI Key	VETACGBDFVVKGZ-UHFFFAOYSA-N
MDL Number	MFCD08273811
Molecular Formula	C15H13Cl2NO2
Molecular Weight	310.1752
SMILES	N(c1c(CC(=O)OC)cccc1)c1c(Cl)cccc1Cl
UNII	N7O8SA4VRI
Synonyms	Diclofenac Methyl Ester, 15307-78-5, Diclofenac, methyl ester, UNII-N7O8SA4VRI, N7O8SA4VRI, methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate, Methyl 2-(2,6-Dichloroanilino)phenylacetate, Methyl 2-(2-(2,6-dichlorophenylamino)-phenyl)acetate, Methyl Ester of Diclofenac, Methyl [2-(2,6-dichloroanilino)phenyl]acetate, Methyl diclofenac, Diclofenac, Me, Diclofenac, methylated, Aceclofenac Impurity B, AC1LAROQ, Diclofenac-methyl ester, Aceclofenac impurity B [EP], CHEMBL113852, SCHEMBL5542139, CTK8F9151, DTXSID80333888, VETACGBDFVVKGZ-UHFFFAOYSA-N, MFCD08273811, ZINC13558626, AKOS027250756, API0006814, FT-0666648, M2903, J-008977, 2-(2,6-Dichloroanilino)phenylacetic Acid Methyl Ester, Methyl (2-((2,6-dichlorophenyl)amino)phenyl)acetate, methyl 2-(2-(2,6-dichlorophenylamino)phenyl)acetate, [o-(2,6-Dichloroanilino)phenyl]acetic Acid Methyl Ester, 2-[(2,6-Dichlorophenyl)amino]benzeneacetic Acid Methyl Ester, Acetic acid, [o-(2,6-dichloroanilino)phenyl]-, methyl ester, Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, methyl ester, 2-(2,6-Dichloroanilino)phenylacetic Acid Methyl Ester / Diclofenac Methyl Ester, Methyl 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetate (Methyl Ester of Diclofenac), CID519102, CS-O-07098,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.032g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	310.174g/mol
Monoisotopic Mass	309.032g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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