Home Halogens 3-bromo-4-phenylbutan-2-one

3-bromo-4-phenylbutan-2-one

CAS No.:
55985-68-7
Catalog Number:
AG01BS7P
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
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Product Description
Catalog Number:
AG01BS7P
Chemical Name:
3-bromo-4-phenylbutan-2-one
CAS Number:
55985-68-7
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD16748568
IUPAC Name:
3-bromo-4-phenylbutan-2-one
InChI:
InChI=1S/C10H11BrO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChI Key:
VVSQAKKEJGMRSP-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C)Cc1ccccc1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties