Home Halogens Butanoic acid,2-bromo-4,4,4-trifluoro-, ethyl ester

Butanoic acid,2-bromo-4,4,4-trifluoro-, ethyl ester

CAS No.:
367-33-9
Catalog Number:
AG0078F7
Molecular Formula:
C6H8BrF3O2
Molecular Weight:
249.0257
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Product Description
Catalog Number:
AG0078F7
Chemical Name:
Butanoic acid,2-bromo-4,4,4-trifluoro-, ethyl ester
CAS Number:
367-33-9
Molecular Formula:
C6H8BrF3O2
Molecular Weight:
249.0257
MDL Number:
MFCD10687235
IUPAC Name:
ethyl 2-bromo-4,4,4-trifluorobutanoate
InChI:
InChI=1S/C6H8BrF3O2/c1-2-12-5(11)4(7)3-6(8,9)10/h4H,2-3H2,1H3
InChI Key:
POVYUFTVLGOXEE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC(F)(F)F)Br
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.966g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.027g/mol
Monoisotopic Mass:
247.966g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties