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2024-54-6 | Butanoic acid, 2-bromo-4,4,4-trifluoro-3-methyl-, ethyl ester
CAS No: 2024-54-6 Catalog No: AG00287V MDL No:
Product Description
Catalog Number:
AG00287V
Chemical Name:
Butanoic acid, 2-bromo-4,4,4-trifluoro-3-methyl-, ethyl ester
CAS Number:
2024-54-6
Molecular Formula:
C7H10BrF3O2
Molecular Weight:
263.0523
IUPAC Name:
ethyl 2-bromo-4,4,4-trifluoro-3-methylbutanoate
InChI:
InChI=1S/C7H10BrF3O2/c1-3-13-6(12)5(8)4(2)7(9,10)11/h4-5H,3H2,1-2H3
InChI Key:
GNKFSVGWVCDYSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(F)(F)F)C)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.982g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.054g/mol
Monoisotopic Mass:
261.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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