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Home > Bromides > 1365988-14-2
1365988-14-2 | Methyl 2-bromo-4,4,4-trifluorobutyrate
CAS No: 1365988-14-2 Catalog No: AG01FCO5 MDL No:MFCD21602081
Product Description
Catalog Number:
AG01FCO5
Chemical Name:
Methyl 2-bromo-4,4,4-trifluorobutyrate
CAS Number:
1365988-14-2
Molecular Formula:
C5H6BrF3O2
Molecular Weight:
234.9991
MDL Number:
MFCD21602081
IUPAC Name:
methyl 2-bromo-4,4,4-trifluorobutanoate
InChI:
InChI=1S/C5H6BrF3O2/c1-11-4(10)3(6)2-5(7,8)9/h3H,2H2,1H3
InChI Key:
IGMSVJMQSABMQX-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(F)(F)F)Br
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.95g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235g/mol
Monoisotopic Mass:
233.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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