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88733-64-6 | Benzoic acid, 2-[3-(4-chlorophenyl)propyl]-, methyl ester
CAS No: 88733-64-6 Catalog No: AG0045IY MDL No:
Product Description
Catalog Number:
AG0045IY
Chemical Name:
Benzoic acid, 2-[3-(4-chlorophenyl)propyl]-, methyl ester
CAS Number:
88733-64-6
Molecular Formula:
C17H17ClO2
Molecular Weight:
288.7687
IUPAC Name:
methyl 2-[3-(4-chlorophenyl)propyl]benzoate
InChI:
InChI=1S/C17H17ClO2/c1-20-17(19)16-8-3-2-6-14(16)7-4-5-13-9-11-15(18)12-10-13/h2-3,6,8-12H,4-5,7H2,1H3
InChI Key:
BOIQIUXZILKNSM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1CCCc1ccc(cc1)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.771g/mol
Monoisotopic Mass:
288.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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