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138522-71-1 | Cyclohexanone, 2-bromo-2-(bromophenylmethyl)-
CAS No: 138522-71-1 Catalog No: AG0019DP MDL No:
Product Description
Catalog Number:
AG0019DP
Chemical Name:
Cyclohexanone, 2-bromo-2-(bromophenylmethyl)-
CAS Number:
138522-71-1
Molecular Formula:
C13H14Br2O
Molecular Weight:
346.0577
IUPAC Name:
2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C13H14Br2O/c14-12(10-6-2-1-3-7-10)13(15)9-5-4-8-11(13)16/h1-3,6-7,12H,4-5,8-9H2
InChI Key:
IXQJJURSKZNPFL-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1(Br)C(c1ccccc1)Br
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.939g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.062g/mol
Monoisotopic Mass:
343.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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