AG000S19

1261802-94-1 | Benzoic acid, 5-chloro-2,4-difluoro-, methyl ester

AG000S19

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CAS Number	1261802-94-1
Catalog Number	AG000S19(AGN-PC-0C6ED9)
Chemical Name	Benzoic acid, 5-chloro-2,4-difluoro-, methyl ester
IUPAC Name	methyl 5-chloro-2,4-difluorobenzoate
InChI	InChI=1S/C8H5ClF2O2/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3H,1H3
InChI Key	XYMSJOLPHIRLNX-UHFFFAOYSA-N
MDL Number	MFCD18417407
Molecular Formula	C8H5ClF2O2
Molecular Weight	206.5739
SMILES	O=C(OC)C1=CC(Cl)=C(F)C=C1F
Synonyms	METHYL 5-CHLORO-2,4-DIFLUOROBENZOATE, 1261802-94-1, 5-Chloro-2,4-difluoro-benzoic acid Methyl ester, SCHEMBL364771, XYMSJOLPHIRLNX-UHFFFAOYSA-N, CL9097, MFCD18417407, ZINC89064478, AKOS017552507, AS-46208, X-3268, Benzoic acid, 5-chloro-2,4-difluoro-, 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	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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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