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860815-31-2 | Oxetane, 3-[[[6-(4-bromophenoxy)hexyl]oxy]methyl]-3-ethyl-
CAS No: 860815-31-2 Catalog No: AG004L3H MDL No:
Product Description
Catalog Number:
AG004L3H
Chemical Name:
Oxetane, 3-[[[6-(4-bromophenoxy)hexyl]oxy]methyl]-3-ethyl-
CAS Number:
860815-31-2
Molecular Formula:
C18H27BrO3
Molecular Weight:
371.3092
IUPAC Name:
3-[6-(4-bromophenoxy)hexoxymethyl]-3-ethyloxetane
InChI:
InChI=1S/C18H27BrO3/c1-2-18(14-21-15-18)13-20-11-5-3-4-6-12-22-17-9-7-16(19)8-10-17/h7-10H,2-6,11-15H2,1H3
InChI Key:
KUSBZNVHBRCXIB-UHFFFAOYSA-N
SMILES:
CCC1(COCCCCCCOc2ccc(cc2)Br)COC1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.315g/mol
Monoisotopic Mass:
370.114g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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