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89471-54-5 | Cyclohexane, 1-(2-bromo-1-methylethyl)-3-methyl-
CAS No: 89471-54-5 Catalog No: AG0043QR MDL No:
Product Description
Catalog Number:
AG0043QR
Chemical Name:
Cyclohexane, 1-(2-bromo-1-methylethyl)-3-methyl-
CAS Number:
89471-54-5
Molecular Formula:
C10H19Br
Molecular Weight:
219.1619
IUPAC Name:
1-(1-bromopropan-2-yl)-3-methylcyclohexane
InChI:
InChI=1S/C10H19Br/c1-8-4-3-5-10(6-8)9(2)7-11/h8-10H,3-7H2,1-2H3
InChI Key:
UNVHUZLCFOYKHW-UHFFFAOYSA-N
SMILES:
BrCC(C1CCCC(C1)C)C
Properties
Complexity:
111
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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