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85710-98-1 | Cyclohexene, 3-(2-bromo-1-ethoxyethoxy)-
CAS No: 85710-98-1 Catalog No: AG004ZLM MDL No:
Product Description
Catalog Number:
AG004ZLM
Chemical Name:
Cyclohexene, 3-(2-bromo-1-ethoxyethoxy)-
CAS Number:
85710-98-1
Molecular Formula:
C10H17BrO2
Molecular Weight:
249.1448
IUPAC Name:
3-(2-bromo-1-ethoxyethoxy)cyclohexene
InChI:
InChI=1S/C10H17BrO2/c1-2-12-10(8-11)13-9-6-4-3-5-7-9/h4,6,9-10H,2-3,5,7-8H2,1H3
InChI Key:
ZGKQJVKLJNPDSY-UHFFFAOYSA-N
SMILES:
CCOC(OC1CCCC=C1)CBr
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.148g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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