Home Halogens ethyl 3-(tert-butoxy)-2-chlorobenzoate

ethyl 3-(tert-butoxy)-2-chlorobenzoate

CAS No.:
1803562-55-1
Catalog Number:
AG01AD7A
Molecular Formula:
C13H17ClO3
Molecular Weight:
256.7253
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Product Description
Catalog Number:
AG01AD7A
Chemical Name:
ethyl 3-(tert-butoxy)-2-chlorobenzoate
CAS Number:
1803562-55-1
Molecular Formula:
C13H17ClO3
Molecular Weight:
256.7253
MDL Number:
MFCD26936281
IUPAC Name:
ethyl 2-chloro-3-[(2-methylpropan-2-yl)oxy]benzoate
InChI:
InChI=1S/C13H17ClO3/c1-5-16-12(15)9-7-6-8-10(11(9)14)17-13(2,3)4/h6-8H,5H2,1-4H3
InChI Key:
KRNRFEOGOZXBGG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1Cl)OC(C)(C)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.726g/mol
Monoisotopic Mass:
256.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties