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28924-62-1 | 1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-, ethyl ester
CAS No: 28924-62-1 Catalog No: AG002X3S MDL No:
Product Description
Catalog Number:
AG002X3S
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-, ethyl ester
CAS Number:
28924-62-1
Molecular Formula:
C11H11ClN4O2
Molecular Weight:
266.6836
IUPAC Name:
ethyl 5-amino-1-(4-chlorophenyl)triazole-4-carboxylate
InChI:
InChI=1S/C11H11ClN4O2/c1-2-18-11(17)9-10(13)16(15-14-9)8-5-3-7(12)4-6-8/h3-6H,2,13H2,1H3
InChI Key:
DCJZBLIDDBPKKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnn(c1N)c1ccc(cc1)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.685g/mol
Monoisotopic Mass:
266.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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