AG0034QB

685-88-1 | Diethyl Fluoromalonate

AG0034QB

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CAS Number	685-88-1
Catalog Number	AG0034QB(AGN-PC-0JKAQF)
Chemical Name	Diethyl Fluoromalonate
EC Number	211-684-7
IUPAC Name	diethyl 2-fluoropropanedioate
InChI	InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChI Key	GOWQBFVDZPZZFA-UHFFFAOYSA-N
MDL Number	MFCD10700134
Molecular Formula	C7H11FO4
Molecular Weight	178.1582
NSC Number	521723
SMILES	O=C(OCC)C(F)C(=O)OCC
Synonyms	Diethyl fluoromalonate, 685-88-1, Diethyl 2-fluoromalonate, Fluoromalonic acid diethyl ester, 1,3-diethyl 2-fluoropropanedioate, diethylfluoromalonate, 2-fluoro-malonic acid diethyl ester, Diethyl fluoropropanedioate, Ethyl fluoromalonate, diethyl2-fluoromalonate, Propanedioic acid, fluoro-, diethyl ester, MALONIC ACID, FLUORO-, DIETHYL ESTER, EINECS 211-684-7, MFCD00009139, NSC 521723, BRN 1775686, diethyl 2-fluoropropanedioate, Diethyl fluoromalonate, 97%, FLUOROPROPANEDIOIC ACID DIETHYL ESTER, GOWQBFVDZPZZFA-UHFFFAOYSA-N, diethyl 2-fluoropropane-1,3-dioate, PROPANEDIOIC ACID, 2-FLUORO-, 1,3-DIETHYL ESTER, C7H11FO4, diethyl-fluoromalonate, diethylfluoro malonate, PubChem13699, ACMC-1AZ7C, EC 211-684-7, Diethyl 2-fluoromalonate #, DIETHYLFLUORPROPANDIOAT, 4-02-00-01899 (Beilstein Handbook Reference), KSC354G5J, SCHEMBL223479, CTK2F4354, DTXSID80218626, 2-Fluoromalonic acid diethyl ester, 2-fluoro malonic acid diethyl ester, AC1L2061, ACN-S004249, ACN-S004250, BCP23308, KS-000001BY, Monofluoromalonic acid diethyl ester, ZINC1605023, ANW-35520, BBL100643, FD2094, NSC521723, SBB089387, STL554437, AKOS005063390, AS06195, CM13859, CS-W002046, EF10105, GS-3628, NSC-521723, PB19857, RP18100, RTR-022910, TRA0058665, AJ-28094, AN-47215, BC202513, BR-39189, CJ-25849, EN002163, LS-88834, SC-13912, AB0026243, AB1001116, DB-001349, ST2419239, TL8004812, TR-022910, AM20100635, F0283, FT-0624785, W7864, S-1420, 685D881, Propanedioic acid, fluoro-, diethyl ester (9CI), 3S105480, 3S210827, I14-0131, Q-103488, Fluoromalonic acid diethyl ester; Fluoropropanedioic acid diethyl ester, 3-Methoxy-4-nitrobenzoic acid, Diethyl fluoromalonate, 97% 1g, C7-H11-F-O4, CID12702, Diethyl fluoromalonate, 97% - 1G 1g, 5081-36-7,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.159g/mol
Monoisotopic Mass	178.064g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	danger
UN Code	UN 3265

Certificate of Analysis

Lot Number