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167634-94-8 | Benzenedodecanol, 4-iodo-
CAS No: 167634-94-8 Catalog No: AG001XHX MDL No:
Product Description
Catalog Number:
AG001XHX
Chemical Name:
Benzenedodecanol, 4-iodo-
CAS Number:
167634-94-8
Molecular Formula:
C18H29IO
Molecular Weight:
388.3267
IUPAC Name:
12-(4-iodophenyl)dodecan-1-ol
InChI:
InChI=1S/C18H29IO/c19-18-14-12-17(13-15-18)11-9-7-5-3-1-2-4-6-8-10-16-20/h12-15,20H,1-11,16H2
InChI Key:
BPIAUJNGDUSASC-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCc1ccc(cc1)I
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.333g/mol
Monoisotopic Mass:
388.126g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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