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130407-96-4 | Benzonitrile, 2-(3-phenyl-1H-1,2,4-triazol-5-yl)-
CAS No: 130407-96-4 Catalog No: AG000UDE MDL No:
Product Description
Catalog Number:
AG000UDE
Chemical Name:
Benzonitrile, 2-(3-phenyl-1H-1,2,4-triazol-5-yl)-
CAS Number:
130407-96-4
Molecular Formula:
C15H10N4
Molecular Weight:
246.2667
IUPAC Name:
2-(3-phenyl-1H-1,2,4-triazol-5-yl)benzonitrile
InChI:
InChI=1S/C15H10N4/c16-10-12-8-4-5-9-13(12)15-17-14(18-19-15)11-6-2-1-3-7-11/h1-9H,(H,17,18,19)
InChI Key:
YDARDMROXJLKCQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1[nH]nc(n1)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.273g/mol
Monoisotopic Mass:
246.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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