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2144070-47-1 | 1-(2-bromoethyl)-3-(trifluoromethyl)cyclohexane
CAS No: 2144070-47-1 Catalog No: AG01ELV6 MDL No:
Product Description
Catalog Number:
AG01ELV6
Chemical Name:
1-(2-bromoethyl)-3-(trifluoromethyl)cyclohexane
CAS Number:
2144070-47-1
Molecular Formula:
C9H14BrF3
Molecular Weight:
259.1067
IUPAC Name:
1-(2-bromoethyl)-3-(trifluoromethyl)cyclohexane
InChI:
InChI=1S/C9H14BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h7-8H,1-6H2
InChI Key:
BJBSQTXSSWSGHH-UHFFFAOYSA-N
SMILES:
BrCCC1CCCC(C1)C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.11g/mol
Monoisotopic Mass:
258.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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