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77383-17-6 | tert-butyl 8-Bromooctanoate
CAS No: 77383-17-6 Catalog No: AG01FFFH MDL No:
Product Description
Catalog Number:
AG01FFFH
Chemical Name:
tert-butyl 8-Bromooctanoate
CAS Number:
77383-17-6
Molecular Formula:
C12H23BrO2
Molecular Weight:
279.2138
IUPAC Name:
tert-butyl 8-bromooctanoate
InChI:
InChI=1S/C12H23BrO2/c1-12(2,3)15-11(14)9-7-5-4-6-8-10-13/h4-10H2,1-3H3
InChI Key:
HGJYTBCLFXAZMO-UHFFFAOYSA-N
SMILES:
BrCCCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.218g/mol
Monoisotopic Mass:
278.088g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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