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88337-01-3 | Benzenetetradecanoic acid, 4-iodo-
CAS No: 88337-01-3 Catalog No: AG0047X1 MDL No:
Product Description
Catalog Number:
AG0047X1
Chemical Name:
Benzenetetradecanoic acid, 4-iodo-
CAS Number:
88337-01-3
Molecular Formula:
C20H31IO2
Molecular Weight:
430.3634
IUPAC Name:
14-(4-iodophenyl)tetradecanoic acid
InChI:
InChI=1S/C20H31IO2/c21-19-16-14-18(15-17-19)12-10-8-6-4-2-1-3-5-7-9-11-13-20(22)23/h14-17H,1-13H2,(H,22,23)
InChI Key:
LAYJRNOLKDYXNP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCCCc1ccc(cc1)I
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.37g/mol
Monoisotopic Mass:
430.137g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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