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89779-16-8 | Benzamide, N-[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]-
CAS No: 89779-16-8 Catalog No: AG00400I MDL No:
Product Description
Catalog Number:
AG00400I
Chemical Name:
Benzamide, N-[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]-
CAS Number:
89779-16-8
Molecular Formula:
C16H14N4O
Molecular Weight:
278.3086
IUPAC Name:
N-[4-(5-methyltriazol-1-yl)phenyl]benzamide
InChI:
InChI=1S/C16H14N4O/c1-12-11-17-19-20(12)15-9-7-14(8-10-15)18-16(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)
InChI Key:
CLSNFEJAANKOIJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(cc1)n1nncc1C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.315g/mol
Monoisotopic Mass:
278.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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