Home Halogens 3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid

3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid

CAS No.:
774605-57-1
Catalog Number:
AG01BH68
Molecular Formula:
C13H11Cl2NO3
Molecular Weight:
300.1373
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Product Description
Catalog Number:
AG01BH68
Chemical Name:
3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid
CAS Number:
774605-57-1
Molecular Formula:
C13H11Cl2NO3
Molecular Weight:
300.1373
MDL Number:
MFCD19092969
IUPAC Name:
3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C13H11Cl2NO3/c1-2-4-9-11(13(17)18)12(16-19-9)10-7(14)5-3-6-8(10)15/h3,5-6H,2,4H2,1H3,(H,17,18)
InChI Key:
LNPRSLPLJGGYGI-UHFFFAOYSA-N
SMILES:
CCCc1onc(c1C(=O)O)c1c(Cl)cccc1Cl
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.012g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.135g/mol
Monoisotopic Mass:
299.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties