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20549-72-8 | Benzene, (4-iodobutoxy)-
CAS No: 20549-72-8 Catalog No: AG002A3R MDL No:
Product Description
Catalog Number:
AG002A3R
Chemical Name:
Benzene, (4-iodobutoxy)-
CAS Number:
20549-72-8
Molecular Formula:
C10H13IO
Molecular Weight:
276.1141
IUPAC Name:
4-iodobutoxybenzene
InChI:
InChI=1S/C10H13IO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
CEJDPSORWDSKOB-UHFFFAOYSA-N
SMILES:
ICCCCOc1ccccc1
EC Number:
606-579-1
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.117g/mol
Monoisotopic Mass:
276.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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