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111826-07-4

111826-07-4 | 4'-Bromo-4-phenylbutyrophenone

CAS No: 111826-07-4 Catalog No: AG01FEZH MDL No:

Product Description

Catalog Number:
AG01FEZH
Chemical Name:
4'-Bromo-4-phenylbutyrophenone
CAS Number:
111826-07-4
Molecular Formula:
C16H15BrO
Molecular Weight:
303.1937
IUPAC Name:
1-(4-bromophenyl)-4-phenylbutan-1-one
InChI:
InChI=1S/C16H15BrO/c17-15-11-9-14(10-12-15)16(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2
InChI Key:
UDRSFXZFZAAYRZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CCCc1ccccc1

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.031g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.199g/mol
Monoisotopic Mass:
302.031g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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