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89221-18-1 | Benzamide, N-[4-(1-ethyl-1H-1,2,3-triazol-4-yl)phenyl]-
CAS No: 89221-18-1 Catalog No: AG0044MI MDL No:
Product Description
Catalog Number:
AG0044MI
Chemical Name:
Benzamide, N-[4-(1-ethyl-1H-1,2,3-triazol-4-yl)phenyl]-
CAS Number:
89221-18-1
Molecular Formula:
C17H16N4O
Molecular Weight:
292.3351
IUPAC Name:
N-[4-(1-ethyltriazol-4-yl)phenyl]benzamide
InChI:
InChI=1S/C17H16N4O/c1-2-21-12-16(19-20-21)13-8-10-15(11-9-13)18-17(22)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,18,22)
InChI Key:
GZQLAUJQXFQJKX-UHFFFAOYSA-N
SMILES:
CCn1nnc(c1)c1ccc(cc1)NC(=O)c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.342g/mol
Monoisotopic Mass:
292.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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