Home Halogens 1-(2-bromophenyl)-4,4-dimethylpentan-3-one

1-(2-bromophenyl)-4,4-dimethylpentan-3-one

CAS No.:
252935-80-1
Catalog Number:
AG01A95X
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
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Product Description
Catalog Number:
AG01A95X
Chemical Name:
1-(2-bromophenyl)-4,4-dimethylpentan-3-one
CAS Number:
252935-80-1
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
MDL Number:
MFCD11655217
IUPAC Name:
1-(2-bromophenyl)-4,4-dimethylpentan-3-one
InChI:
InChI=1S/C13H17BrO/c1-13(2,3)12(15)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3
InChI Key:
KYYOFMHRKRNDOY-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CCc1ccccc1Br
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties