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179245-36-4 | Cyclohexane, 1-bromo-4-butyl-
CAS No: 179245-36-4 Catalog No: AG0026VN MDL No:
Product Description
Catalog Number:
AG0026VN
Chemical Name:
Cyclohexane, 1-bromo-4-butyl-
CAS Number:
179245-36-4
Molecular Formula:
C10H19Br
Molecular Weight:
219.1619
IUPAC Name:
1-bromo-4-butylcyclohexane
InChI:
InChI=1S/C10H19Br/c1-2-3-4-9-5-7-10(11)8-6-9/h9-10H,2-8H2,1H3
InChI Key:
ZIIPZCHEHIALGJ-UHFFFAOYSA-N
SMILES:
CCCCC1CCC(CC1)Br
Properties
Complexity:
93
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.166g/mol
Monoisotopic Mass:
218.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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