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158895-50-2 | Benzenamine, 4-(3-ethoxy-1H-1,2,4-triazol-1-yl)-
CAS No: 158895-50-2 Catalog No: AG001QZO MDL No:
Product Description
Catalog Number:
AG001QZO
Chemical Name:
Benzenamine, 4-(3-ethoxy-1H-1,2,4-triazol-1-yl)-
CAS Number:
158895-50-2
Molecular Formula:
C10H12N4O
Molecular Weight:
204.2285
IUPAC Name:
4-(3-ethoxy-1,2,4-triazol-1-yl)aniline
InChI:
InChI=1S/C10H12N4O/c1-2-15-10-12-7-14(13-10)9-5-3-8(11)4-6-9/h3-7H,2,11H2,1H3
InChI Key:
RLDWSHYZLZYDRG-UHFFFAOYSA-N
SMILES:
CCOc1ncn(n1)c1ccc(cc1)N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.233g/mol
Monoisotopic Mass:
204.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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