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117711-60-1 | Cyclohexene, 1-(bromodifluoromethyl)-
CAS No: 117711-60-1 Catalog No: AG000HOV MDL No:MFCD00153695
Product Description
Catalog Number:
AG000HOV
Chemical Name:
Cyclohexene, 1-(bromodifluoromethyl)-
CAS Number:
117711-60-1
Molecular Formula:
C7H9BrF2
Molecular Weight:
211.0472
MDL Number:
MFCD00153695
IUPAC Name:
1-[bromo(difluoro)methyl]cyclohexene
InChI:
InChI=1S/C7H9BrF2/c8-7(9,10)6-4-2-1-3-5-6/h4H,1-3,5H2
InChI Key:
PJIZWHYAFYTIMP-UHFFFAOYSA-N
SMILES:
FC(C1=CCCCC1)(Br)F
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.05g/mol
Monoisotopic Mass:
209.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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