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101068-39-7 | Cyclohexanecarboxylic acid, 2-chlorophenyl ester
CAS No: 101068-39-7 Catalog No: AG0003NB MDL No:
Product Description
Catalog Number:
AG0003NB
Chemical Name:
Cyclohexanecarboxylic acid, 2-chlorophenyl ester
CAS Number:
101068-39-7
Molecular Formula:
C13H15ClO2
Molecular Weight:
238.7100
IUPAC Name:
(2-chlorophenyl) cyclohexanecarboxylate
InChI:
InChI=1S/C13H15ClO2/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChI Key:
CVAIHALBNQCWTA-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Oc1ccccc1Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.711g/mol
Monoisotopic Mass:
238.076g/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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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