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24457-21-4 | tert-Butyl 2-Bromobutyrate
CAS No: 24457-21-4 Catalog No: AG003UJD MDL No:MFCD00209634
Product Description
Catalog Number:
AG003UJD
Chemical Name:
tert-Butyl 2-Bromobutyrate
CAS Number:
24457-21-4
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
MDL Number:
MFCD00209634
IUPAC Name:
tert-butyl 2-bromobutanoate
InChI:
InChI=1S/C8H15BrO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5H2,1-4H3
InChI Key:
RIUJWUWLGXBICR-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC(C)(C)C)Br
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.11g/mol
Monoisotopic Mass:
222.026g/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
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