Home Halogens ethyl 4-(2-chloropyriMidin-4-yl)benzoate

ethyl 4-(2-chloropyriMidin-4-yl)benzoate

CAS No.:
499195-60-7
Catalog Number:
AG00DB60
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
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Product Description
Catalog Number:
AG00DB60
Chemical Name:
ethyl 4-(2-chloropyriMidin-4-yl)benzoate
CAS Number:
499195-60-7
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
MDL Number:
MFCD09861393
IUPAC Name:
ethyl 4-(2-chloropyrimidin-4-yl)benzoate
InChI:
InChI=1S/C13H11ClN2O2/c1-2-18-12(17)10-5-3-9(4-6-10)11-7-8-15-13(14)16-11/h3-8H,2H2,1H3
InChI Key:
PTSZMMLYAGLVQJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ccnc(n1)Cl
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.693g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties