AG00ICU1

773139-38-1 | Ethyl 4-chloro-2,6-difluorobenzoate

AG00ICU1

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CAS Number	773139-38-1
Catalog Number	AG00ICU1(AGN-PC-0WD3HP)
Chemical Name	Ethyl 4-chloro-2,6-difluorobenzoate
IUPAC Name	ethyl 4-chloro-2,6-difluorobenzoate
InChI	InChI=1S/C9H7ClF2O2/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4H,2H2,1H3
InChI Key	XYUKGBLOCAJQMA-UHFFFAOYSA-N
MDL Number	MFCD06205107
Molecular Formula	C9H7ClF2O2
Molecular Weight	220.6005
SMILES	O=C(OCC)C1=C(F)C=C(Cl)C=C1F
Synonyms	Ethyl 4-chloro-2,6-difluorobenzoate, 773139-38-1, DTXSID70673260, MFCD06205107, ZINC44201007, DS-6490, FCH1377415, AK138923, AJ-109597, AX8260528,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.6g/mol
Monoisotopic Mass	220.01g/mol
Rotatable Bond Count	3
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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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