Home Halogens ethyl 2-(3-chlorobenzoyl)-3-methylbutanoate

ethyl 2-(3-chlorobenzoyl)-3-methylbutanoate

CAS No.:
1285476-25-6
Catalog Number:
AG01C6ZR
Molecular Formula:
C14H17ClO3
Molecular Weight:
268.7360
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Product Description
Catalog Number:
AG01C6ZR
Chemical Name:
ethyl 2-(3-chlorobenzoyl)-3-methylbutanoate
CAS Number:
1285476-25-6
Molecular Formula:
C14H17ClO3
Molecular Weight:
268.7360
MDL Number:
MFCD16502405
IUPAC Name:
ethyl 2-(3-chlorobenzoyl)-3-methylbutanoate
InChI:
InChI=1S/C14H17ClO3/c1-4-18-14(17)12(9(2)3)13(16)10-6-5-7-11(15)8-10/h5-9,12H,4H2,1-3H3
InChI Key:
RFBLNNHOUKITDU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1cccc(c1)Cl)C(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.087g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.737g/mol
Monoisotopic Mass:
268.087g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties