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78647-37-7 | Butane, 1-(1-ethoxyethoxy)-4-iodo-
CAS No: 78647-37-7 Catalog No: AG005K0W MDL No:
Product Description
Catalog Number:
AG005K0W
Chemical Name:
Butane, 1-(1-ethoxyethoxy)-4-iodo-
CAS Number:
78647-37-7
Molecular Formula:
C8H17IO2
Molecular Weight:
272.1239
IUPAC Name:
1-(1-ethoxyethoxy)-4-iodobutane
InChI:
InChI=1S/C8H17IO2/c1-3-10-8(2)11-7-5-4-6-9/h8H,3-7H2,1-2H3
InChI Key:
QPOZKZZFXOJASC-UHFFFAOYSA-N
SMILES:
ICCCCOC(OCC)C
Properties
Complexity:
78.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.126g/mol
Monoisotopic Mass:
272.027g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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