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136618-42-3 | Benzoic acid, 4-iodo-, phenylmethyl ester
CAS No: 136618-42-3 Catalog No: AG001253 MDL No:MFCD18072656
Product Description
Catalog Number:
AG001253
Chemical Name:
Benzoic acid, 4-iodo-, phenylmethyl ester
CAS Number:
136618-42-3
Molecular Formula:
C14H11IO2
Molecular Weight:
338.1404
MDL Number:
MFCD18072656
IUPAC Name:
benzyl 4-iodobenzoate
InChI:
InChI=1S/C14H11IO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
MSSYFJWOCVCQJJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)OCc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.144g/mol
Monoisotopic Mass:
337.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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