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Home Carboxys ethyl 5-amino-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylate

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

CAS No.:
112881-59-1
Catalog Number:
AG01EJKN
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
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Product Description
Catalog Number:
AG01EJKN
Chemical Name:
ethyl 5-amino-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylate
CAS Number:
112881-59-1
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
MDL Number:
MFCD01109323
IUPAC Name:
ethyl 5-amino-1-(4-methoxyphenyl)triazole-4-carboxylate
InChI:
InChI=1S/C12H14N4O3/c1-3-19-12(17)10-11(13)16(15-14-10)8-4-6-9(18-2)7-5-8/h4-7H,3,13H2,1-2H3
InChI Key:
LXMWOFUMIWOJQP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnn(c1N)c1ccc(cc1)OC
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.107g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.269g/mol
Monoisotopic Mass:
262.107g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties