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89031-97-0 | Benzoic acid, 2-iodo-5-(octyloxy)-
CAS No: 89031-97-0 Catalog No: AG00886N MDL No:
Product Description
Catalog Number:
AG00886N
Chemical Name:
Benzoic acid, 2-iodo-5-(octyloxy)-
CAS Number:
89031-97-0
Molecular Formula:
C15H21IO3
Molecular Weight:
376.2299
IUPAC Name:
2-iodo-5-octoxybenzoic acid
InChI:
InChI=1S/C15H21IO3/c1-2-3-4-5-6-7-10-19-12-8-9-14(16)13(11-12)15(17)18/h8-9,11H,2-7,10H2,1H3,(H,17,18)
InChI Key:
GDEQHDHAKKVJLW-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)C(=O)O)I
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.234g/mol
Monoisotopic Mass:
376.054g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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