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77778-66-6 | Propanoic acid,2-fluoro-3,3,3-trimethoxy-, methyl ester
CAS No: 77778-66-6 Catalog No: AG0057S1 MDL No:MFCD07323646
Product Description
Catalog Number:
AG0057S1
Chemical Name:
Propanoic acid,2-fluoro-3,3,3-trimethoxy-, methyl ester
CAS Number:
77778-66-6
Molecular Formula:
C7H13FO5
Molecular Weight:
196.1735
MDL Number:
MFCD07323646
IUPAC Name:
methyl 2-fluoro-3,3,3-trimethoxypropanoate
InChI:
InChI=1S/C7H13FO5/c1-10-6(9)5(8)7(11-2,12-3)13-4/h5H,1-4H3
InChI Key:
OCVWVNNAUUPJJH-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(OC)(OC)OC)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.174g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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