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858121-96-7 | 1-(Bromomethyl)-4-(trifluoromethyl)cyclohexane
CAS No: 858121-96-7 Catalog No: AG003D2L MDL No:MFCD21776156
Product Description
Catalog Number:
AG003D2L
Chemical Name:
1-(Bromomethyl)-4-(trifluoromethyl)cyclohexane
CAS Number:
858121-96-7
Molecular Formula:
C8H12BrF3
Molecular Weight:
245.0801
MDL Number:
MFCD21776156
IUPAC Name:
1-(bromomethyl)-4-(trifluoromethyl)cyclohexane
InChI:
InChI=1S/C8H12BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h6-7H,1-5H2
InChI Key:
OLFWEZJQUZTRPE-UHFFFAOYSA-N
SMILES:
BrCC1CCC(CC1)C(F)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.083g/mol
Monoisotopic Mass:
244.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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