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167564-63-8 | Hexanoic acid, 2-bromo-, phenyl ester
CAS No: 167564-63-8 Catalog No: AG001XGL MDL No:
Product Description
Catalog Number:
AG001XGL
Chemical Name:
Hexanoic acid, 2-bromo-, phenyl ester
CAS Number:
167564-63-8
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
IUPAC Name:
phenyl 2-bromohexanoate
InChI:
InChI=1S/C12H15BrO2/c1-2-3-9-11(13)12(14)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChI Key:
ULWFDBMWNKTQLQ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)Oc1ccccc1)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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