AG00CM50

428-97-7 | DIETHYL 2,2-DIFLUOROPENTANEDIOATE

AG00CM50

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CAS Number	428-97-7
Catalog Number	AG00CM50(AGN-PC-0WALHK)
Chemical Name	DIETHYL 2,2-DIFLUOROPENTANEDIOATE
IUPAC Name	diethyl 2,2-difluoropentanedioate
InChI	InChI=1S/C9H14F2O4/c1-3-14-7(12)5-6-9(10,11)8(13)15-4-2/h3-6H2,1-2H3
InChI Key	YVPKMLFMDHSTKJ-UHFFFAOYSA-N
MDL Number	MFCD24386313
Molecular Formula	C9H14F2O4
Molecular Weight	224.2019
SMILES	O=C(OCC)C(F)(F)CCC(OCC)=O
Synonyms	Diethyl 2,2-difluoropentanedioate, 428-97-7, AK130467, 2,2-difluoropentanedioic acid diethyl ester, SCHEMBL168509, C9H14F2O4, DTXSID00607391, YVPKMLFMDHSTKJ-UHFFFAOYSA-N, KS-00000R8C, MFCD24386313, ZINC95093318, AKOS016000687, 1,5-diethyl 2,2-difluoropentanedioate, CS-W001571, DS-1612, MP-1541, CJ-22668, PC430245, AB0056275, AJ-132413, AX8247931, ST2419230, 4CH-012388, C3242, Z4746, Diethyl2,2-difluoropentanedioate, ACN-036734,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.086g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.204g/mol
Monoisotopic Mass	224.086g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number