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143675-91-6 | Benzoic acid, 4-bromo-, cyclohexyl ester
CAS No: 143675-91-6 Catalog No: AG001I5R MDL No:
Product Description
Catalog Number:
AG001I5R
Chemical Name:
Benzoic acid, 4-bromo-, cyclohexyl ester
CAS Number:
143675-91-6
Molecular Formula:
C13H15BrO2
Molecular Weight:
283.1610
IUPAC Name:
cyclohexyl 4-bromobenzoate
InChI:
InChI=1S/C13H15BrO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChI Key:
XCSPVCCMBFLCQT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)OC1CCCCC1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.165g/mol
Monoisotopic Mass:
282.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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