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Home Other Building Blocks 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline

4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline

CAS No.:
29214-50-4
Catalog Number:
AG01A1O0
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
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Product Description
Catalog Number:
AG01A1O0
Chemical Name:
4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CAS Number:
29214-50-4
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
MDL Number:
MFCD02738557
IUPAC Name:
4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
InChI:
InChI=1S/C14H12N4/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,15H2,(H,16,17,18)
InChI Key:
AEALBFAUDNCOAC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1[nH]nc(n1)c1ccccc1
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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