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96693-04-8 | Benzene, 1-butoxy-4-iodo-
CAS No: 96693-04-8 Catalog No: AG0066E8 MDL No:MFCD09878143
Product Description
Catalog Number:
AG0066E8
Chemical Name:
Benzene, 1-butoxy-4-iodo-
CAS Number:
96693-04-8
Molecular Formula:
C10H13IO
Molecular Weight:
276.1141
MDL Number:
MFCD09878143
IUPAC Name:
1-butoxy-4-iodobenzene
InChI:
InChI=1S/C10H13IO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3
InChI Key:
QMEHOMNBEJNMHD-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)I
Properties
Complexity:
108
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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