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116274-51-2 | 1-Butanone, 2,3-dibromo-2-methyl-1-phenyl-
CAS No: 116274-51-2 Catalog No: AG000C39 MDL No:
Product Description
Catalog Number:
AG000C39
Chemical Name:
1-Butanone, 2,3-dibromo-2-methyl-1-phenyl-
CAS Number:
116274-51-2
Molecular Formula:
C11H12Br2O
Molecular Weight:
320.0204
IUPAC Name:
2,3-dibromo-2-methyl-1-phenylbutan-1-one
InChI:
InChI=1S/C11H12Br2O/c1-8(12)11(2,13)10(14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
RJJFITXZNSXKSG-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)c1ccccc1)(Br)C)Br
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.923g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.024g/mol
Monoisotopic Mass:
317.925g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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