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14070-13-4 | Benzenamine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
CAS No: 14070-13-4 Catalog No: AG001CPC MDL No:
Product Description
Catalog Number:
AG001CPC
Chemical Name:
Benzenamine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
CAS Number:
14070-13-4
Molecular Formula:
C14H13N5
Molecular Weight:
251.2865
IUPAC Name:
4-[3-(4-aminophenyl)-1H-1,2,4-triazol-5-yl]aniline
InChI:
InChI=1S/C14H13N5/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2,(H,17,18,19)
InChI Key:
YOKGFEBGKOKPBX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1[nH]nc(n1)c1ccc(cc1)N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.293g/mol
Monoisotopic Mass:
251.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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