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

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

CAS No.:
1154372-81-2
Catalog Number:
AG01A8B8
Molecular Formula:
C11H10ClN3O2
Molecular Weight:
251.6690
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Product Description
Catalog Number:
AG01A8B8
Chemical Name:
1-(2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxylic acid
CAS Number:
1154372-81-2
Molecular Formula:
C11H10ClN3O2
Molecular Weight:
251.6690
MDL Number:
MFCD12106501
IUPAC Name:
1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C11H10ClN3O2/c1-2-9-13-10(11(16)17)14-15(9)8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H,16,17)
InChI Key:
ADSUQICMBSGRKP-UHFFFAOYSA-N
SMILES:
CCc1nc(nn1c1ccccc1Cl)C(=O)O
Properties
Complexity:
290  
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:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties