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88134-51-4 | Benzene, [[2-(1-ethoxyethoxy)-4-iodo-2-methyl-3-butenyl]oxy]-
CAS No: 88134-51-4 Catalog No: AG004DH2 MDL No:
Product Description
Catalog Number:
AG004DH2
Chemical Name:
Benzene, [[2-(1-ethoxyethoxy)-4-iodo-2-methyl-3-butenyl]oxy]-
CAS Number:
88134-51-4
Molecular Formula:
C15H21IO3
Molecular Weight:
376.2299
IUPAC Name:
[2-(1-ethoxyethoxy)-4-iodo-2-methylbut-3-enoxy]benzene
InChI:
InChI=1S/C15H21IO3/c1-4-17-13(2)19-15(3,10-11-16)12-18-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3
InChI Key:
BFDSCGFTENOICY-UHFFFAOYSA-N
SMILES:
CCOC(OC(COc1ccccc1)(C=CI)C)C
Properties
Complexity:
264
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:
0
Isotope Atom Count:
0
Molecular Weight:
376.234g/mol
Monoisotopic Mass:
376.054g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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