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100954-50-5,MFCD07698814
Catalog No.:AA000385
100954-50-5 | Benzophenone, 4'-bromo-2-hydroxy-, acetate (6CI)
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1g
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2 weeks  
$640.00   $448.00
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Technical Information
Catalog Number:
AA000385
Chemical Name:
Benzophenone, 4'-bromo-2-hydroxy-, acetate (6CI)
CAS Number:
100954-50-5
Molecular Formula:
C15H13BrO4
Molecular Weight:
337.1653
MDL Number:
MFCD07698814
IUPAC Name:
[2-(4-bromobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H11BrO3/c1-10(17)19-14-5-3-2-4-13(14)15(18)11-6-8-12(16)9-7-11/h2-9H,1H3
InChI Key:
XJAWYUDNVDPZJF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1ccccc1O.CC(=O)O
Properties
Computed Properties
 
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.989g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.154g/mol
Monoisotopic Mass:
317.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
2-ACETOXY-4'-BROMOBENZOPHENONE 
100954-50-5 
2-(4-Bromobenzoyl)phenyl acetate 
CTK3J9387 
DTXSID30641566 
MFCD07698814 
ZINC43209761 
AKOS016018248 
Literature
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