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89313-48-4 | 2-Propenenitrile, 3-(2-amino-1H-benzimidazol-5-yl)-3-phenyl-
CAS No: 89313-48-4 Catalog No: AG003YJ9 MDL No:
Product Description
Catalog Number:
AG003YJ9
Chemical Name:
2-Propenenitrile, 3-(2-amino-1H-benzimidazol-5-yl)-3-phenyl-
CAS Number:
89313-48-4
Molecular Formula:
C16H12N4
Molecular Weight:
260.2933
IUPAC Name:
3-(2-amino-3H-benzimidazol-5-yl)-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C16H12N4/c17-9-8-13(11-4-2-1-3-5-11)12-6-7-14-15(10-12)20-16(18)19-14/h1-8,10H,(H3,18,19,20)
InChI Key:
JTLWEODNXRAOMH-UHFFFAOYSA-N
SMILES:
N#CC=C(c1ccc2c(c1)nc([nH]2)N)c1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.3g/mol
Monoisotopic Mass:
260.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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