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88337-00-2 | Benzenepentadecanoic acid, 4-iodo-, methyl ester
CAS No: 88337-00-2 Catalog No: AG0047X2 MDL No:
Product Description
Catalog Number:
AG0047X2
Chemical Name:
Benzenepentadecanoic acid, 4-iodo-, methyl ester
CAS Number:
88337-00-2
Molecular Formula:
C22H35IO2
Molecular Weight:
458.4166
IUPAC Name:
methyl 15-(4-iodophenyl)pentadecanoate
InChI:
InChI=1S/C22H35IO2/c1-25-22(24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-18-21(23)19-17-20/h16-19H,2-15H2,1H3
InChI Key:
BNGBPDHBXPNKEU-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCCCCCc1ccc(cc1)I
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.424g/mol
Monoisotopic Mass:
458.168g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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