Home Other Building Blocks ETHYL 3-BROMO-2-OXO-4-PHENYLBUTANOATE

ETHYL 3-BROMO-2-OXO-4-PHENYLBUTANOATE

CAS No.:
292858-05-0
Catalog Number:
AG01DSSN
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
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Product Description
Catalog Number:
AG01DSSN
Chemical Name:
ETHYL 3-BROMO-2-OXO-4-PHENYLBUTANOATE
CAS Number:
292858-05-0
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
MDL Number:
MFCD26398518
IUPAC Name:
ethyl 3-bromo-2-oxo-4-phenylbutanoate
InChI:
InChI=1S/C12H13BrO3/c1-2-16-12(15)11(14)10(13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChI Key:
CGNJOYUSPNGALU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(Cc1ccccc1)Br
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties