Home Halogens ethyl 5-(4-chlorophenyl)-1H-1,2,4-triazole-3-carboxylate

ethyl 5-(4-chlorophenyl)-1H-1,2,4-triazole-3-carboxylate

CAS No.:
62230-51-7
Catalog Number:
AG01B9K4
Molecular Formula:
C11H10ClN3O2
Molecular Weight:
251.6690
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Product Description
Catalog Number:
AG01B9K4
Chemical Name:
ethyl 5-(4-chlorophenyl)-1H-1,2,4-triazole-3-carboxylate
CAS Number:
62230-51-7
Molecular Formula:
C11H10ClN3O2
Molecular Weight:
251.6690
MDL Number:
MFCD19141565
IUPAC Name:
ethyl 3-(4-chlorophenyl)-1H-1,2,4-triazole-5-carboxylate
InChI:
InChI=1S/C11H10ClN3O2/c1-2-17-11(16)10-13-9(14-15-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,15)
InChI Key:
HOHJXKLSCXTVQB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(n1)c1ccc(cc1)Cl
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.67g/mol
Monoisotopic Mass:
251.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties