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287481-44-1 | Acetic acid, 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]-2-bromo-, methyl ester
CAS No: 287481-44-1 Catalog No: AG002WBQ MDL No:MFCD03452750
Product Description
Catalog Number:
AG002WBQ
Chemical Name:
Acetic acid, 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]-2-bromo-, methyl ester
CAS Number:
287481-44-1
Molecular Formula:
C7H8BrF6O5P
Molecular Weight:
397.0036
MDL Number:
MFCD03452750
IUPAC Name:
methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-bromoacetate
InChI:
InChI=1S/C7H8BrF6O5P/c1-17-5(15)4(8)20(16,18-2-6(9,10)11)19-3-7(12,13)14/h4H,2-3H2,1H3
InChI Key:
MMHNTPNKYFALAL-UHFFFAOYSA-N
SMILES:
COC(=O)C(P(=O)(OCC(F)(F)F)OCC(F)(F)F)Br
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.92g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.004g/mol
Monoisotopic Mass:
395.92g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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