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Home Other Building Blocks 4-(4-Chloro-phenyl)-4-oxo-butyric acid ethyl ester

4-(4-Chloro-phenyl)-4-oxo-butyric acid ethyl ester

CAS No.:
53503-49-4
Catalog Number:
AG00DA1R
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$89
- +
500mg
In Stock USA
United States
$144
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1g
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United States
$262
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2.5g
In Stock USA
United States
$561
- +
5g
In Stock USA
United States
$1019
- +
10g
In Stock USA
United States
$1873
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Product Description
Catalog Number:
AG00DA1R
Chemical Name:
4-(4-Chloro-phenyl)-4-oxo-butyric acid ethyl ester
CAS Number:
53503-49-4
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
MDL Number:
MFCD00032767
IUPAC Name:
ethyl 4-(4-chlorophenyl)-4-oxobutanoate
InChI:
InChI=1S/C12H13ClO3/c1-2-16-12(15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:
YKJFOAUMSHLSEB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties