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1554-79-6 | Pentanoic acid, 5-bromo-, cyclohexyl ester
CAS No: 1554-79-6 Catalog No: AG001NW3 MDL No:
Product Description
Catalog Number:
AG001NW3
Chemical Name:
Pentanoic acid, 5-bromo-, cyclohexyl ester
CAS Number:
1554-79-6
Molecular Formula:
C11H19BrO2
Molecular Weight:
263.1714
IUPAC Name:
cyclohexyl 5-bromopentanoate
InChI:
InChI=1S/C11H19BrO2/c12-9-5-4-8-11(13)14-10-6-2-1-3-7-10/h10H,1-9H2
InChI Key:
ADMMCXQWDYYTHB-UHFFFAOYSA-N
SMILES:
BrCCCCC(=O)OC1CCCCC1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.175g/mol
Monoisotopic Mass:
262.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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