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86711-76-4 | Butanoic acid, 2-bromo-, 2-methylpropyl ester
CAS No: 86711-76-4 Catalog No: AG004O5O MDL No:
Product Description
Catalog Number:
AG004O5O
Chemical Name:
Butanoic acid, 2-bromo-, 2-methylpropyl ester
CAS Number:
86711-76-4
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
IUPAC Name:
2-methylpropyl 2-bromobutanoate
InChI:
InChI=1S/C8H15BrO2/c1-4-7(9)8(10)11-5-6(2)3/h6-7H,4-5H2,1-3H3
InChI Key:
FIUCVOFYLPLFAI-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCC(C)C)Br
Properties
Complexity:
123
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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