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

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

CAS No.:
1017402-13-9
Catalog Number:
AG01AH02
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
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Product Description
Catalog Number:
AG01AH02
Chemical Name:
1-(3-chlorophenyl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1017402-13-9
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
MDL Number:
MFCD10006696
IUPAC Name:
1-(3-chlorophenyl)-5-propyltriazole-4-carboxylic acid
InChI:
InChI=1S/C12H12ClN3O2/c1-2-4-10-11(12(17)18)14-15-16(10)9-6-3-5-8(13)7-9/h3,5-7H,2,4H2,1H3,(H,17,18)
InChI Key:
KRDXQAHRVXCDRX-UHFFFAOYSA-N
SMILES:
CCCc1c(nnn1c1cccc(c1)Cl)C(=O)O
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.062g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.697g/mol
Monoisotopic Mass:
265.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties