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13859-31-9 | Propanoic acid, 2-bromo-2,3,3,3-tetrafluoro-
CAS No: 13859-31-9 Catalog No: AG0018TU MDL No:MFCD02183518
Product Description
Catalog Number:
AG0018TU
Chemical Name:
Propanoic acid, 2-bromo-2,3,3,3-tetrafluoro-
CAS Number:
13859-31-9
Molecular Formula:
C3HBrF4O2
Molecular Weight:
224.9365
MDL Number:
MFCD02183518
IUPAC Name:
2-bromo-2,3,3,3-tetrafluoropropanoic acid
InChI:
InChI=1S/C3HBrF4O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChI Key:
QUWQIQACQOVGDT-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(F)(F)F)(Br)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.91g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.937g/mol
Monoisotopic Mass:
223.91g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Preparation and addition--elimination reactions of benzyl alpha,beta,beta-trifluoroacrylate. A new stereoselective approach to (Z)-beta-substituted alpha,beta-difluoroacrylates. | The Journal of organic chemistry 20080118 |
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