AG00DF25

50889-46-8 | Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate

AG00DF25

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CAS Number	50889-46-8
Catalog Number	AG00DF25(AGN-PC-0NG6TX)
Chemical Name	Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate
IUPAC Name	1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one
InChI	InChI=1S/C9H17F2O4P/c1-4-5-6-9(10,11)8(12)7-16(13,14-2)15-3/h4-7H2,1-3H3
InChI Key	CISDEVRDMKWPCP-UHFFFAOYSA-N
MDL Number	MFCD11707108
Molecular Formula	C9H17F2O4P
Molecular Weight	258.1994
SMILES	CCCCC(F)(F)C(=O)CP(=O)(OC)OC
Synonyms	Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate, 50889-46-8, Dimethyl (2-oxo-3,3-difluoroheptyl)phosphonate, Dimethyl-(2-oxo-3,3-difluoroheptyl)phosphonate, (3,3-Difluoro-2-oxo-heptyl)-phosphonic acid dimethyl ester, AK103371, Phosphonic acid, (3,3-difluoro-2-oxoheptyl)-, dimethyl ester, dimethyl(3,3-difluoro-2-oxoheptyl)phosphonate, 1-dimethoxyphosphoryl-3,3-difluoro-heptan-2-one, SCHEMBL453783, C9H17F2O4P, CTK1G7647, KS-00000QCV, DTXSID30455903, CISDEVRDMKWPCP-UHFFFAOYSA-N, BCP14482, ZX-AP010290, ANW-64856, MFCD11707108, PC5961, SBB101991, ZINC38273174, AKOS005063326, RP29204, ACM50889468, AC-24767, AJ-94881, AN-41370, SC-51505, AB0076405, AX8234910, DB-001357, TC-153601, CS-0028487, dimethyl 3,3-difluoro-2-oxoheptylphosphonate, FT-0667410, ST24046595, Z6161, Dimethyl(2-oxo-3,3-difluoroheptyl)phosphonate, Dimethyl-3,3-difluoro-2-oxoheptylphosphonate,, A-2209, 1-(dimethoxycarbonyl)-3,3-difluoroheptan-2-one, 889D468, J-520345, I14-12019, (3,3-Difluoro-2-oxoheptyl)phosphonic acid dimethyl ester, ACN-032453, CID11118722,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.083g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.202g/mol
Monoisotopic Mass	258.083g/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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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