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Home Carboxys methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate

methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate

CAS No.:
31771-58-1
Catalog Number:
AG00D08Z
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
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Product Description
Catalog Number:
AG00D08Z
Chemical Name:
methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate
CAS Number:
31771-58-1
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD03830101
IUPAC Name:
methyl 5-amino-1-phenyltriazole-4-carboxylate
InChI:
InChI=1S/C10H10N4O2/c1-16-10(15)8-9(11)14(13-12-8)7-5-3-2-4-6-7/h2-6H,11H2,1H3
InChI Key:
XELSIYWNEIGXMY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1N)c1ccccc1
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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